Basic information
- CAS
1504-56-9- Standard SMILES
COc1cc(C=CCO)cc(OC)c1OC- InChIKey
HZDDMDAKGIRCPP-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 3',4',5'-Trimethoxycinnamyl alcohol
- IUPAC
- 3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
- English name
- 3,4,5-trimethoxycinnamyl alcohol
- Molecular formula
- C12H16O4
- Molecular weight
- 224.25
Names & synonyms
1504-56-9DTXSID0012949373',4',5'-Trimethoxycinnamyl alcoholRefChem:1065381DTXCID7010471273-(3,4,5-trimethoxyphenyl)-2-propen-1-ol3-(3,4,5-trimethoxyphenyl)prop-2-en-1-oltrans-3,4-5-Trimethoxycinnamyl alcohol2-Propen-1-ol, 3-(3,4,5-trimethoxyphenyl)-SCHEMBL4299632HZDDMDAKGIRCPP-UHFFFAOYSA-NAKOS017341547
Show more names
3,4,5-trimethoxycinnamyl alcohol
DB-3308723-(3,4,5-Trimethoxyphenyl) -2-propen-1-ol3a(2),4a(2),5a(2)-Trimethoxycinnamyl alcohol3-(3',4',5'-trimethoxyphenyl) prop-2-en-1-ol
Database identifiers
- CAS
1504-56-9- PubChem CID
- 73924
- DTXSID
DTXSID001294937- EC Number
- 216-129-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Density
- 1.12 · 1.12
- LogP
- 1.28 · 1.280 (est)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Additional notes
DefinitionChEBI: 3,4,5-trimethoxy cinnamyl alcohol is a phenylpropanoid that is (E)-cinnamyl alcohol substituted by methoxy groups at positions 3, 4 and 5 respectively. It is a phenylpropanoid, a primary alcohol and a member of methoxybenzenes. It is functionally related to an (E)-cinnamyl alcohol.
Related reactions
4 records
Compound notes
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