4'-(16-Hydroxyhexadecyloxy)biphenyl-4-carboxylic acid
Basic information
- Standard SMILES
O=C(O)c1ccc(-c2ccc(OCCCCCCCCCCCCCCCCO)cc2)cc1- InChIKey
YQSNKKPRYQBLEE-UHFFFAOYSA-N- Molecular formula
- C29H42O4
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- 4'-(16-Hydroxyhexadecyloxy)biphenyl-4-carboxylic acid
- IUPAC
- 4-[4-(16-hydroxyhexadecoxy)phenyl]benzoic acid
Names & synonyms
SCHEMBL10408458YQSNKKPRYQBLEE-UHFFFAOYSA-N4'-(16-hydroxyhexadecyloxy)biphenyl-4-carboxylic acid
Database identifiers
- PubChem CID
- 19859977
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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