chempirical

Osthol

C15H16O3CAS 484-12-8244.29 g/mol

Open in Covalent MOL file
OOO
AlkeneEther

Properties

Molecular formula
C15H16O3
Molar mass
244.29 g/mol
Exact mass
244.1099 Da
Melting point
83.5 °C
logP
3.31Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
484-12-8
SMILES
COc1ccc2ccc(=O)oc2c1CC=C(C)C
InChIKey
MBRLOUHOWLUMFF-UHFFFAOYSA-N
InChI
InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3

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Names and synonyms

11 names
  • 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-buten-1-yl)-
  • Osthole
  • Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-
  • 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-
  • 7-Methoxy-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one
  • 7-Methoxy-8-isopentenylcoumarin
  • Ostole
  • Ostol
  • 7-Methoxy-8-(3-methyl-2-butenyl)coumarin
  • 8-(3-Methyl-2-butenyl)herniarin
  • NSC 31868

Work with Osthol

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

6,7,8-Trimethoxycoumarin6035-49-046 % similar Phellopterin2543-94-445 % similar Imperatorin482-44-045 % similar Demethylsuberosin21422-04-844 % similar Columbianetin acetate23180-65-644 % similar Fraxetin574-84-544 % similar (+)-Columbianetin3804-70-444 % similar Scoparone120-08-143 % similar

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

Same formula

Linderalactone728-61-0 4-Methoxy-α-(4-methoxyphenyl)benzenemethanol728-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia