# Methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate;methyl 2-(3,4-diacetyloxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate

**CAS:** 51274-37-4  
**PubChem CID:** [167312572](https://pubchem.ncbi.nlm.nih.gov/compound/167312572)  
**Molecular formula:** C₄H₄O₅  
**Molar mass:** 1793.6 g/mol  
**IUPAC:** methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate;methyl 2-(3,4-diacetyloxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate  
**SMILES:** `CC(=O)OC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)O)C(=O)OC)OC(=O)C.CC(=O)OC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC(=O)C)C(=O)OC)OC(=O)C.COC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC.COC(=O)C=CC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O`  
**InChIKey:** `GDKAZGCNMAWRDW-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C26H22O11.C24H22O10.C23H22O8.C20H18O8/c1-13(27)34-19-8-7-17(12-20(19)35-14(2)28)24-23(26(31)33-5)18-10-16(6-9-22(30)32-4)11-21(25(18)37-24)36-15(3)29;1-12(25)32-18-7-6-15(11-19(18)33-13(2)26)22-21(24(29)31-4)16-9-14(5-8-20(28)30-3)10-17(27)23(16)34-22;1-26-16-8-7-14(12-17(16)27-2)21-20(23(25)30-5)15-10-13(6-9-19(24)29-4)11-18(28-3)22(15)31-21;1-26-16(24)6-3-10-7-12-17(20(25)27-2)18(28-19(12)15(23)8-10)11-4-5-13(21)14(22)9-11/h6-12H,1-5H3;5-11,21-22,27H,1-4H3;6-12H,1-5H3;3-9,17-18,21-23H,1-2H3`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 495 Ų |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 37 |
| Rotatable bonds | 37 |
| Heavy atoms | 130 |

## 3D structure

The molecule contains 214 atoms connected by 222 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/51274-37-4/

## Synonyms

- 51274-37-4

## Model views

- [ball-and-stick model (flat projection)](https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-ball-and-stick-model-flat-projection-v1.png)
- [skeletal model (flat projection)](https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-skeletal-model-flat-projection-v1.png)
- [space-filling model (flat projection)](https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-space-filling-model-flat-projection-v1.png)
- [2D structure](https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-2d-structure-v1.png)

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## Data sources

- [PubChem CID 167312572](https://pubchem.ncbi.nlm.nih.gov/compound/167312572)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=51274-37-4)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=51274-37-4)

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- Canonical: https://molgod.org/molecule/51274-37-4/

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**How to cite:** MolGod.org. "Methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate;methyl 2-(3,4-diacetyloxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate (CAS 51274-37-4)." Last modified 2026-09-03. https://molgod.org/molecule/51274-37-4/ — for a chemical fact, cite its primary source (PubChem CID 167312572); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record.

*Last updated: 2026-09-03 · Generator: MOL-GOD v3.12.33*