[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4-(2-methylbutyl)phenyl ester
Basic information
- CAS
92758-27-5- Standard SMILES
CCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CC(C)CC)cc3)cc2)cc1- InChIKey
OFPKTMNHQRPVJW-UHFFFAOYSA-N- Molecular formula
- C31H38O2
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.28718045
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4-(2-methylbutyl)phenyl ester
- IUPAC
- [4-(2-methylbutyl)phenyl] 4-(4-heptylphenyl)benzoate
Names & synonyms
(1,1'-Biphenyl)-4-carboxylic acid, 4'-heptyl-, 4-(2-methylbutyl)phenyl esterDTXSID20868063[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4-(2-methylbutyl)phenyl esterRefChem:204015DTXCID0081620492758-27-5OFPKTMNHQRPVJW-UHFFFAOYSA-N4-(2-Methylbutyl)phenyl 4'-heptyl[1,1'-biphenyl]-4-carboxylate
Database identifiers
- CAS
92758-27-5- PubChem CID
- 112158
- DTXSID
DTXSID20868063- Nikkaji
- J697.423F
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 519
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4-(2-methylbutyl)phenyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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