Basic information
- Standard SMILES
O=C(O)C(Cc1ccccc1OCc1ccccc1)C(O)C1CCCCC1- InChIKey
HTUSBRYPIJXERR-UHFFFAOYSA-N- Molecular formula
- C23H28O4
- Average molar mass
- 368.5 g/mol
Names & identifiers
- Preferred name
- (2RS,3RS)-2-(2-benzyloxyphenylmethyl)-3-cyclohexyl-3-hydroxypropionic acid
- IUPAC
- 3-cyclohexyl-3-hydroxy-2-[(2-phenylmethoxyphenyl)methyl]propanoic acid
Names & synonyms
SCHEMBL7989643HTUSBRYPIJXERR-UHFFFAOYSA-N(2RS,3RS)-2-(2-benzyloxyphenylmethyl)-3-cyclohexyl-3-hydroxypropionic acid(2RS,3SR)-2-(2-benzyloxyphenylmethyl)-3-cyclohexyl-3-hydroxypropionic acid
Database identifiers
- PubChem CID
- 22012301
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 440
Related reactions
4 records
Compound notes
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