3-Methyl-2-(naphthalene-1-carbonyl)benzoic acid
Basic information
- CAS
86785-12-8- Standard SMILES
Cc1cccc(C(=O)O)c1C(=O)c1cccc2ccccc12- InChIKey
YTIODIXTUPNVSG-UHFFFAOYSA-N- Molecular formula
- C19H14O3
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.0942943
Names & identifiers
- Preferred name
- 3-Methyl-2-(naphthalene-1-carbonyl)benzoic acid
- IUPAC
- 3-methyl-2-(naphthalene-1-carbonyl)benzoic acid
Names & synonyms
NSC6256062-(1-Naphthoyl)-3-methylbenzoic acid3-methyl-2-(naphthalene-1-carbonyl)benzoic acid86785-12-83-Methyl-2-(1-naphthoyl)benzoic acidCHEMBL1991120DTXSID40326998NSC-625606NCI60_007982
Database identifiers
- CAS
86785-12-8- PubChem CID
- 362083
- DTXSID
DTXSID40326998- ChEMBL
CHEMBL1991120
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…