Basic information
- CAS
821798-53-2- Standard SMILES
CC1(CO)CCC(c2ccc(O)cc2)=C(c2ccc(O)cc2)C1- InChIKey
GKSMJTMUMNMPKR-UHFFFAOYSA-N- Molecular formula
- C20H22O3
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15689456
Names & identifiers
- Preferred name
- (1-Methyl-3,4-di(4-hydroxy-phenyl)-cyclohex-3-enyl)-methanol
- IUPAC
- 4-[4-(hydroxymethyl)-2-(4-hydroxyphenyl)-4-methylcyclohexen-1-yl]phenol
Names & synonyms
821798-53-2SCHEMBL5394022DTXSID30593758GKSMJTMUMNMPKR-UHFFFAOYSA-N(1-methyl-3,4-di(4-hydroxy-phenyl)-cyclohex-3-enyl)-methanol2~4~-(Hydroxymethyl)-2~4~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,3~4~-diol
Database identifiers
- CAS
821798-53-2- PubChem CID
- 18436330
- DTXSID
DTXSID30593758
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
3 records
Compound notes
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