Basic information
- CAS
5449-95-6- Standard SMILES
O=C(O)C(c1ccccc1)C(O)C1CCCC1- InChIKey
WATXZLVPCPBXBW-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- 3-Cyclopentyl-3-hydroxy-2-phenylpropanoic acid
- IUPAC
- 3-cyclopentyl-3-hydroxy-2-phenylpropanoic acid
Names & synonyms
MLS0026384875449-95-63-cyclopentyl-3-hydroxy-2-phenylpropanoic acidNSC16458CHEMBL1873870DTXSID20280347HMS3093F05NSC-16458SMR001547963
Database identifiers
- CAS
5449-95-6- PubChem CID
- 226232
- DTXSID
DTXSID20280347- ChEMBL
CHEMBL1873870
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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