Basic information
- CAS
791831-55-5- Standard SMILES
Cc1cccc(C(=O)Oc2cccc3c(O)cccc23)c1- InChIKey
WNUUQNXDKTTWAN-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- 5-Hydroxy-1-naphthyl 3-methylbenzoate
- IUPAC
- (5-hydroxynaphthalen-1-yl) 3-methylbenzoate
- English name
- 5-hydroxy-1-naphthyl 3-methylbenzoate
- Molecular formula
- C18H14O3
- Molecular weight
- 278.30196
Names & synonyms
5-hydroxy-1-naphthyl 3-methylbenzoate(5-hydroxynaphthalen-1-yl) 3-methylbenzoateMLS001178374CHEMBL1327407HMS2838G21SMR000477561AO-548/43179410
Database identifiers
- CAS
791831-55-5- PubChem CID
- 849257
- ChEMBL
CHEMBL1327407
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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