3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide
Basic information
- CAS
69574-09-0- Standard SMILES
Cc1cc(C=C2OC(=O)c3ccccc32)cc(C)c1O- InChIKey
ANSOBNWAUKQYFV-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0942943
Names & identifiers
- Preferred name
- 3-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide
- IUPAC
- 3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-benzofuran-1-one
Names & synonyms
NSC-2817522W3G7KCB72SCHEMBL49738863-(3,5-Dimethyl-4-hydroxybenzylidene)phthalide3-[(4-Hydroxy-3,5-dimethylphenyl)methylene]-1(3H)-isobenzofuranone1(3H)-Isobenzofuranone, 3-[(4-hydroxy-3,5-dimethylphenyl)methylene]-
Database identifiers
- CAS
69574-09-0- PubChem CID
- 323030
- UNII
- 2W3G7KCB72
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
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