4-[4-(4-Pentylcyclohexyl)phenyl]benzoic acid
Basic information
- CAS
5539-45-7- Standard SMILES
CCCCCC1CCC(c2ccc(-c3ccc(C(=O)O)cc3)cc2)CC1- InChIKey
HMEOOKGLYKYTGR-UHFFFAOYSA-N- Molecular formula
- C24H30O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.2245802
Names & identifiers
- Preferred name
- 4-[4-(4-Pentylcyclohexyl)phenyl]benzoic acid
- IUPAC
- 4-[4-(4-pentylcyclohexyl)phenyl]benzoic acid
Names & synonyms
4-[4-(4-pentylcyclohexyl)phenyl]benzoic acid5539-45-74'-(4-Pentylcyclohexyl)biphenyl-4-carboxylic acidSCHEMBL221696SCHEMBL221697DTXSID10386024HMEOOKGLYKYTGR-WGSAOQKQSA-N4'-(4-pentylcyclohexyl)-4-biphenylcarboxylic acid4'-(trans-4-pentylcyclohexyl)-4-biphenylcarboxylic acid3~4~-Pentyl-3~1~,3~2~,3~3~,3~4~,3~5~,3~6~-hexahydro[1~1~,2~1~:2~4~,3~1~-terphenyl]-1~4~-carboxylic acid
Database identifiers
- CAS
5539-45-7- PubChem CID
- 2851027
- DTXSID
DTXSID10386024- Nikkaji
- J2.321.178E
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 408
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Related reactions
2 records
Compound notes
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