2-Phenyl-6-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran
Basic information
- CAS
68138-53-4- Standard SMILES
CC1CC(=O)c2cc(-c3ccccc3)oc2C1- InChIKey
DZABJZIQRZMHMC-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Overview
structure
Names & identifiers
- Preferred name
- 2-Phenyl-6-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran
- IUPAC
- 6-methyl-2-phenyl-6,7-dihydro-5H-1-benzofuran-4-one
Names & synonyms
68138-53-42-Phenyl-6-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran4(5H)-Benzofuranone, 6,7-dihydro-6-methyl-2-phenyl-RefChem:910208NSC295684MLS003115698NSC 295684CHEMBL2142807DZABJZIQRZMHMC-UHFFFAOYSA-NSC-295684SMR0018312696-methyl-2-phenyl-6,7-dihydro-5H-benzofuran-4-one
Show more names
6-methyl-2-phenyl-6,7-dihydro-1-benzofuran-4(5H)-oneInChI=1/C15H14O2/c1-10-7-13(16)12-9-14(17-15(12)8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
Database identifiers
- CAS
68138-53-4- PubChem CID
- 73477
- ChEMBL
CHEMBL2142807- Nikkaji
- J1.020.196I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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