1-Allyl-2,3,4,5-tetramethoxybenzene
Basic information
- CAS
15361-99-6- Standard SMILES
C=CCc1cc(OC)c(OC)c(OC)c1OC- InChIKey
HRAXJWRHSUTMCS-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Overview
Allyltetramethoxybenzene is a benzenetriol. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 1-Allyl-2,3,4,5-tetramethoxybenzene
- IUPAC
- 1,2,3,4-tetramethoxy-5-prop-2-enylbenzene
Names & synonyms
6-Methoxyelemicin2,3,4,5-Tetramethoxyallylbenzene15361-99-6Benzene, 1,2,3,4-tetramethoxy-5-(2-propenyl)-1-Allyl-2,3,4,5-tetramethoxybenzene2444643WXKBenzene, 1,2,3,4-tetramethoxy-5-(2-propen-1-yl)-RefChem:1054809Allyltetramethoxybenzene1,2,3,4-tetramethoxy-5-prop-2-enylbenzene1,2,3,4-Tetramethoxy-5-(2-propen-1-yl)benzeneUNII-2444643WXK
Show more names
Benzene, 1-allyl-2,3,4,5-tetramethoxy-101843-39-41-Allyl-2,3,4,5-tetramethoxy-Benzene1,2,3,4-tetramethoxy-5-(2-propenyl)benzeneBenzene, 1-(2-propenyl)-2,3,4,5-tetramethoxyBenzene, tetramethoxy(2-propenyl)-Allyltetramethoxybenzoll,2,3,4-Tetramethoxy-5-(2)-propenylbenzene
Database identifiers
- CAS
15361-99-6- PubChem CID
- 617233
- DTXSID
DTXSID401026592- ChEMBL
CHEMBL464585- ChEBI
CHEBI:70354- UNII
- 2444643WXK
- Nikkaji
- J487.731D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Boiling Point307.00 to 309.00 °C. @ 760.00 mm Hg
Melting Point25 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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