4-Methylumbelliferone

C10H8O3CAS 90-33-5176.17 g/mol

Open in Covalent MOL file
OOHO
Phenol

Properties

Molecular formula
C10H8O3
Molar mass
176.17 g/mol
Exact mass
176.0473 Da
Melting point
195.5 °C
Water solubility
insoluble
logP
1.81Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 340 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
90-33-5
SMILES
Cc1cc(=O)oc2cc(O)ccc12
InChIKey
HSHNITRMYYLLCV-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3

Weigh it out

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

Names and synonyms

38 names · show all
  • 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-
  • Coumarin, 7-hydroxy-4-methyl-
  • Umbelliferone, 4-methyl-
  • 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one
  • 7-Hydroxy-4-methylcoumarin
  • Hymecromone
  • LM 94
  • 4-Methyl-7-hydroxycoumarin
  • β-Methylumbelliferone
  • 7-Hydroxy-4-methyl-2-oxo-3-chromene
  • Imecromone
  • Cantabiline
  • Bilcolic
  • Bilicante
  • Cantabilin
  • Eurogale
  • Medilla
  • Omega 127
  • Mendiaxon
  • Pilot 447
  • Coumarin 4
  • Cholestil
  • 4-MU
  • Coumarin 456
  • 7-Hydroxy-4-methyl-2-chromenone
  • Cholonerton
  • Cholspasmin
  • Himecol
  • Cumarote C
  • Biliton H
  • NSC 19026
  • NSC 9408
  • 7-Hydroxy-4-methyl-2H-chromen-2-one
  • 7-Hydroxy-4-methyl-2H-chomen-2-one
  • 7-Hydroxyl-4-methylcoumarine
  • 7-Hydroxy-4-methylbenzopyran-2-one
  • Odeston
  • 7-Hydroxy-4-methyl-2H-chromen-2-on

Work with 4-Methylumbelliferone

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

7-Amino-4-methylcoumarin26093-31-262 % similar 4-Methylesculetin529-84-061 % similar 4-Methylcoumarin607-71-660 % similar 7-Methoxy-4-methylcoumarin2555-28-459 % similar DAMC87-01-459 % similar 7-Hydroxy-4-(trifluoromethyl)coumarin575-03-157 % similar 5,7-Dihydroxy-4-methylcoumarin2107-76-856 % similar 7-Ethoxy-4-methylcoumarin87-05-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 4-Hydroxy-6-methylcoumarin13252-83-0 4-Methoxycourmarin20280-81-3 2H-Chromene-3-carboxylic acid22649-28-1 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-1

Elsewhere

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