4-Hexylphenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylate
Basic information
- CAS
59748-23-1- Standard SMILES
CCCCCCc1ccc(OC(=O)c2ccc(-c3ccc(CCCCC)cc3)cc2)cc1- InChIKey
UTFGWFCGHRMRRQ-UHFFFAOYSA-N- Molecular formula
- C30H36O2
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.27153039
Names & identifiers
- Preferred name
- 4-Hexylphenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylate
- IUPAC
- (4-hexylphenyl) 4-(4-pentylphenyl)benzoate
Names & synonyms
59748-23-14-Hexylphenyl 4'-pentyl[1,1'-biphenyl]-4-carboxylateSCHEMBL11554357DTXSID30710903
Database identifiers
- CAS
59748-23-1- PubChem CID
- 54371034
- DTXSID
DTXSID30710903
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 491
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Compound notes
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