3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one
Basic information
- CAS
7499-62-9- Standard SMILES
Cc1cccc2c1C(=O)OC2(C)c1cccc2ccccc12- InChIKey
IRFSCOBQNNMNKI-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one
- IUPAC
- 3,7-dimethyl-3-naphthalen-1-yl-2-benzofuran-1-one
Names & synonyms
7499-62-93,7-Dimethyl-3-(naphthalen-1-yl)isobenzofuran-1(3H)-oneNSC4076323,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one3,7-dimethyl-3-(naphthalen-1-yl)-1,3-dihydro-2-benzofuran-1-oneNSC 407632CHEMBL1992222NSC-407632NCI60_0038903,7-dimethyl-3-(1-naphthyl)isobenzofuran-1-one
Database identifiers
- CAS
7499-62-9- PubChem CID
- 348361
- ChEMBL
CHEMBL1992222
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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