3,4,5-Trimethoxytoluene

CAS 6443-69-2  ·  C10H14O3  ·  MW 182.22 g/mol

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3D model 3,4,5-Trimethoxytoluene, CAS 6443-69-2, molecular formula C10H14O3, molar mass 182.22 g/mol
About 3,4,5-Trimethoxytoluene

3,4,5-Trimethoxytoluene is a chemical compound registered under number CAS 6443-69-2, with the molecular formula C10H14O3, and a molar mass of 182.22 g/mol.

The molecule contains 27 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 1,2,3-trimethoxy-5-methylbenzene. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 27.7 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC10H14O3
Masa molowa182.22 g/mol
IUPAC1,2,3-trimethoxy-5-methylbenzene
SMILESCC1=CC(=C(C(=C1)OC)OC)OC
InChIKeyKCIZTNZGSBSSRM-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA27.7 Ų
HBD / HBA0 / 3
PubChem CIDCID 80922 ↗
Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
3,4,5-Trimethoxytoluene · 6443-69-2 · 1,2,3-Trimethoxy-5-methylbenzene · DZV7MLT5SB · RefChem:90941 · DTXCID10137174 · 229-239-0 · Benzene, 1,2,3-trimethoxy-5-methyl- · 5-Methylpyrogallol trimethyl ether · 1,2,3-Trimethoxy-5-methyl-benzene · 3,4,5-Trimethoxy toluene · MFCD00008397 · Toluene, 3,4,5-trimethoxy- · EINECS 229-239-0 · 3,4,5-trimethoxy-toluene
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
3,4,5-Trimethoxytoluene — CAS 6443-69-2

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

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3,4,5-Trimethoxytoluene (CAS 6443-69-2) — License & Provenance

Source:
3,4,5-Trimethoxytoluene (CAS 6443-69-2) — MolGod molecule record

Source data: PubChem CID 80922

STL: Download 3D model (549 KB)

SHA-256: 905ece427e29e5dc07f26823d7e567376fb941c102e1be3efdfe8d9eb5359841

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Source data: PubChem CID 80922

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