3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one

C16H14O2CAS 40546-94-9238.29 g/mol

OO
EsterLactone

Properties

Molecular formula
C16H14O2
Molar mass
238.29 g/mol
Exact mass
238.0994 Da
Melting point
80–81 °C
Boiling point
166–170 °C (at 2.5 Torr)
logP
3.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
40546-94-9
SMILES
Cc1ccc2c(c1)C(c1ccccc1)CC(=O)O2
InChIKey
SUHIZPDCJOQZLN-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3

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Names and synonyms

6 names
  • 2H-1-Benzopyran-2-one, 3,4-dihydro-6-methyl-4-phenyl-
  • Hydrocoumarin, 6-methyl-4-phenyl-
  • 6-Methyl-4-phenyl-3,4-dihydrocoumarin
  • 3,4-Dihydro-6-methyl-4-phenyl-2H-benzopyran-2-one
  • 6-Methyl-4-phenylchroman-2-one
  • 6-Methyl-4-phenyl-3,4-dihydro-1-benzopyran-2-one

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere