Basic information
- Standard SMILES
COC(=O)Cc1cc2ccc(Cl)cc2c(O)c1C- InChIKey
UMJURAUVNPYDJM-UHFFFAOYSA-N- Molecular formula
- C14H13ClO3
- Average molar mass
- 264.7 g/mol
- Monoisotopic mass
- 264.055322
Names & identifiers
- Preferred name
- (6-Chloro-4-hydroxy-3-methyl-naphthalen-2-yl)-acetic acid methyl ester
- IUPAC
- methyl 2-(6-chloro-4-hydroxy-3-methylnaphthalen-2-yl)acetate
Names & synonyms
SCHEMBL2171412UMJURAUVNPYDJM-UHFFFAOYSA-N(6-chloro-4-hydroxy-3-methyl-naphthalen-2-yl)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 59326538
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
1 records
Compound notes
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