3-(4-fluoro-3-methylnaphthalen-1-yl)-7-methyl-3H-2-benzofuran-1-one
Basic information
- CAS
35187-93-0- Standard SMILES
Cc1cccc2c1C(=O)OC2c1cc(C)c(F)c2ccccc12- InChIKey
QINBVLQFFNCJAJ-UHFFFAOYSA-N- Molecular formula
- C20H15FO2
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10560788
Names & identifiers
- Preferred name
- 3-(4-fluoro-3-methylnaphthalen-1-yl)-7-methyl-3H-2-benzofuran-1-one
- IUPAC
- 3-(4-fluoro-3-methylnaphthalen-1-yl)-7-methyl-3H-2-benzofuran-1-one
Names & synonyms
35187-93-0NSC1725343-(4-fluoro-3-methylnaphthalen-1-yl)-7-methyl-3H-2-benzofuran-1-oneDTXSID10305891NSC-172534DS-0080263-(4-fluoro-3-methylnaphthalen-1-yl)-7-methyl-2-benzofuran-1(3H)-one1(3H)-ISOBENZOFURANONE,3-(4-FLUORO-3-METHYL-1-NAPHTHALENYL)-7-METHYL-
Database identifiers
- CAS
35187-93-0- PubChem CID
- 299462
- DTXSID
DTXSID10305891
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
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Compound notes
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