1,3,5-Trimethoxybenzene

CAS 621-23-8  ·  C9H12O3  ·  MW 168.19 g/mol

Loading molecule...
3D model 1,3,5-Trimethoxybenzene, CAS 621-23-8, molecular formula C9H12O3, molar mass 168.19 g/mol
About 1,3,5-Trimethoxybenzene

1,3,5-Trimethoxybenzene is a chemical compound registered under number CAS 621-23-8, with the molecular formula C9H12O3, and a molar mass of 168.19 g/mol.

The molecule contains 24 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is 1,3,5-trimethoxybenzene. 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 = 2 (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 formulaC9H12O3
Masa molowa168.19 g/mol
IUPAC1,3,5-trimethoxybenzene
SMILESCOC1=CC(=CC(=C1)OC)OC
InChIKeyLKUDPHPHKOZXCD-UHFFFAOYSA-N
logP (XLogP3)2
PSA27.7 Ų
HBD / HBA0 / 3
PubChem CIDCID 69301 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

6 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (6 articles)

1962: 1 articles19622002: 1 articles2004: 1 articles2007: 1 articles20072009: 1 articles2021: 1 articles2021

Bar height = number of articles per year. Hover dla szczegółów.

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

Synonyms
1,3,5-Trimethoxybenzene · 621-23-8 · Phloroglucinol trimethyl ether · sym-Trimethoxybenzene · Benzene, 1,3,5-trimethoxy- · 1,3,5-Trimethyoxybenzene · 00VJI3VG3D · NSC-90060 · DTXCID8025963 · CHEBI:31038 · RefChem:412646 · 210-673-4 · MFCD00008385 · Phloroglucinol Impurity 27 · NCGC00095239-01
Data sources
Related molecules
—
License & Provenance

MolGod 3D molecular model
1,3,5-Trimethoxybenzene — CAS 621-23-8

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

MolGod License & Provenance Record:
1,3,5-Trimethoxybenzene (CAS 621-23-8) — License & Provenance

Source:
1,3,5-Trimethoxybenzene (CAS 621-23-8) — MolGod molecule record

Source data: PubChem CID 69301

STL: Download 3D model (488 KB)

SHA-256: 80c990f64119e7f5184152b68f33812ca1a2e5feaefdf858a2aae14dabf6304b

Wikimedia Commons: not published yet

Source data: PubChem CID 69301

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.