Basic information
- Standard SMILES
CC(C)OC(=O)C1(c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1- InChIKey
BLOWYSFDRRIPGN-UHFFFAOYSA-N- Molecular formula
- C20H20O4
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.13615911
Names & identifiers
- Preferred name
- 4'-(1-(Isopropoxycarbonyl)cyclopropyl)biphenyl-4-carboxylic acid
- IUPAC
- 4-[4-(1-propan-2-yloxycarbonylcyclopropyl)phenyl]benzoic acid
Names & synonyms
SCHEMBL343236BLOWYSFDRRIPGN-UHFFFAOYSA-NDB-4121734'-(1-(isopropoxycarbonyl)cyclopropyl)biphenyl-4-carboxylic acid4'-[1-[(1-Methylethoxy)carbonyl]cyclopropyl][1,1'-biphenyl]-4-carboxylic acid1380650-66-7
Database identifiers
- PubChem CID
- 66660422
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
Related reactions
5 records
Compound notes
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