4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid
Properties
- Molecular formula
- C18H20O2
- Molar mass
- 268.36 g/mol
- Exact mass
- 268.1463 Da
- Melting point
- 176 °C
- logP
- 4.78Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 6
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
59662-47-4SMILES
CCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1InChIKey
VRGQQLFRUKMDSW-UHFFFAOYSA-NInChI
InChI=1S/C18H20O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H,19,20)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- [1,1′-Biphenyl]-4-carboxylic acid, 4′-pentyl-
- 4′-Pentyl-4-biphenylcarboxylic acid
- 4′-n-Pentylbiphenyl-4-carboxylic acid
- 4-Pentyl-4′-biphenylcarboxylic acid
- 4′-Carboxy-4-pentylbiphenyl
Work with 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid
Similar compounds
4′-Heptylbiphenyl-4-carboxylic acid58573-94-797 % similar
4-(4′-Hexylphenyl)benzoic acid59662-48-597 % similar
4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid59662-46-391 % similar
4-Pentylbenzoic acid26311-45-590 % similar
4-Hexylbenzoic acid21643-38-988 % similar
4-Octylbenzoic acid3575-31-388 % similar
4-Nonylbenzoic acid38289-46-288 % similar
4-Heptylbenzoic acid38350-87-788 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds