3-(2-Methoxy-1-naphthyl)phthalide, hydrate [10:1]
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Basic information
- Standard SMILES
COc1ccc2ccccc2c1C1OC(=O)c2ccccc21- InChIKey
DOROWQYWMLHPJX-UHFFFAOYSA-N- Molecular formula
- C19H14O3
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.0942943
Names & identifiers
- Preferred name
- 3-(2-Methoxy-1-naphthyl)phthalide, hydrate [10:1]
- IUPAC
- 3-(2-methoxynaphthalen-1-yl)-3H-2-benzofuran-1-one
Names & synonyms
NSC6385043-(2-Methoxy-1-naphthyl)phthalide, hydrate [10:1]CHEMBL1987336NSC-638504NCI60_0128883-(2-methoxy-1-naphthyl)-3H-isobenzofuran-1-one
Database identifiers
- PubChem CID
- 368155
- ChEMBL
CHEMBL1987336- Nikkaji
- J1.064.494A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
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Compound notes
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