chempirical

4-Methylcoumarin

C10H8O2CAS 607-71-6160.17 g/mol

Open in Covalent MOL file
OO

Properties

Molecular formula
C10H8O2
Molar mass
160.17 g/mol
Exact mass
160.0524 Da
logP
2.10Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
607-71-6
SMILES
CC1=CC(=O)OC2=CC=CC=C12
InChIKey
PSGQCCSGKGJLRL-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 4-Methylchromen-2-one
  • 4-Methyl-2H-1-benzopyran-2-one
  • 2H-1-Benzopyran-2-one, 4-methyl-
  • 4-Methyl-2H-chromen-2-one
  • 4-Methylcumarin
  • 4-Methyl-chromen-2-one
  • 4-Methyl-1-benzopyran-2-one
  • 4-Methyl-coumari
  • 4-Methylbenzopyrone
  • 4-Methyl-2-oxo-2H-benzopyran
  • 4-Methyl-2h-1-benzopyran-2-on

Work with 4-Methylcoumarin

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

6-Hydroxy-4-methylcoumarin2373-31-160 % similar 7-Amino-4-methylcoumarin26093-31-260 % similar 4-Methylumbelliferone90-33-560 % similar 4-Hydroxycoumarin1076-38-658 % similar 4-Methoxycourmarin20280-81-357 % similar 7-Methoxy-4-methylcoumarin2555-28-457 % similar 6-Methoxy-4-methylcoumarin6295-35-857 % similar DAMC87-01-457 % similar

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

Same formula

3-Ethynyl-4-methyl-benzoic acid1001203-03-7 1,3-Dihydroxynaphthalene132-86-5 2-Acetylbenzofuran1646-26-0 7-Methylcoumarin2445-83-2 Methyl 4-ethynylbenzoate3034-86-4 Phenylpropynoic acid methyl ester4891-38-7 2H-1-Benzopyran-3-carboxaldehyde51593-69-2 1,8-Dihydroxynaphthalene569-42-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook