5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one
Basic information
- CAS
77398-90-4- Standard SMILES
CCCC(O)CC(=O)CCc1ccc(O)c(OC)c1- InChIKey
GDRKZARFCIYVCI-UHFFFAOYSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Overview
4-Gingerol is a monomethoxybenzene, a member of phenols and a beta-hydroxy ketone.
Names & identifiers
- Preferred name
- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one
- IUPAC
- 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one
Names & synonyms
4-Gingerol5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one77398-90-4CHEMBL38834393-Octanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-SCHEMBL20668437DTXSID70415723CHEBI:156171RBA74368BDBM50210051
Database identifiers
- CAS
77398-90-4- PubChem CID
- 5317596
- DTXSID
DTXSID70415723- ChEMBL
CHEMBL3883439- ChEBI
CHEBI:156171
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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