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

C16H14O2CAS 40546-94-9238.29 g/mol

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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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

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

Weigh it out

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Names and synonyms

7 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
  • 6-Methyl-4-phenyl-3,4-dihydrochromen-2-one

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-261 % similar 2-Methoxy-5-methyl-γ-phenylbenzenepropanol124937-73-150 % similar 2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-344 % similar p-Cresyl isovalerate55066-56-340 % similar p-Cresyl phenylacetate101-94-040 % similar 3-Amino-3-(3-methylphenyl)propanoic acid68208-17-339 % similar (±)-3-Phenyl-1-indanone16618-72-739 % similar Tolterodine tartrate124937-52-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl cinnamate103-41-3 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-5 1,4-Diphenyl-1,4-butanedione495-71-6 4,4'-Diacetylbiphenyl787-69-9 Dihydro-3,3-diphenyl-2(3H)-furanone956-89-8 4′-Methoxychalcone959-23-9 4-Methoxychalcone959-33-1 (1R,4S,4Ar,9as)-rel-1,4,4A,9A-tetrahydro-4A-methyl-1,4-methanoanthracene-9,10-dione97804-50-7

Elsewhere

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