chempirical

7,8-Dihydroxy-4-methylcoumarin

C10H8O4CAS 2107-77-9192.17 g/mol

Open in Covalent MOL file
OOOHHO
Phenol

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
Melting point
238 °C
logP
1.51Crippen estimate
Polar surface area
70.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
2107-77-9
SMILES
Cc1cc(=O)oc2c(O)c(O)ccc12
InChIKey
NWQBYMPNIJXFNQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3

Weigh it out

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

Names and synonyms

9 names
  • 2H-1-Benzopyran-2-one, 7,8-dihydroxy-4-methyl-
  • Coumarin, 7,8-dihydroxy-4-methyl-
  • 7,8-Dihydroxy-4-methyl-2H-1-benzopyran-2-one
  • 4-Methyl-7,8-dihydroxycoumarin
  • 4-Methyldaphnetin
  • NSC 45795
  • NSC 72276
  • 7,8-Dihydroxy-4-methyl-chromen-2-one
  • 7,8-Dihydroxy-4-methyl-2H-chromen-2-one

Work with 7,8-Dihydroxy-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

8-Acetyl-7-hydroxy-4-methylcoumarin2555-29-563 % similar Calcein blue54375-47-254 % similar Daphnetin486-35-153 % similar 4-Methylumbelliferone90-33-551 % similar 6-Hydroxy-4-methylcoumarin2373-31-148 % similar 7,8-Dihydroxyflavone38183-03-846 % similar 7-Amino-4-methylcoumarin26093-31-244 % similar 7-Methoxy-4-methylcoumarin2555-28-442 % similar

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

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 5,7-Dihydroxy-4-methylcoumarin2107-76-8 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2 4-Methylesculetin529-84-0 Furoin552-86-3

Elsewhere

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