Basic information
- Standard SMILES
CC1(C)CC=C(c2ccccc2)c2ccc(C#Cc3ccccc3C(=O)O)cc21- InChIKey
YRENYMZQMVZTJJ-UHFFFAOYSA-N- Molecular formula
- C27H22O2
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- ((7,8-Dihydro-8,8-dimethyl-5-phenylnaphth-2-yl)ethynyl]benzoic acid
- IUPAC
- 2-[2-(8,8-dimethyl-5-phenyl-7H-naphthalen-2-yl)ethynyl]benzoic acid
Names & synonyms
SCHEMBL8772626YRENYMZQMVZTJJ-UHFFFAOYSA-N((7,8-dihydro-8,8-dimethyl-5-phenylnaphth-2-yl)ethynyl]benzoic acid
Database identifiers
- PubChem CID
- 67687635
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 697
Related reactions
3 records
Compound notes
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