chempirical

Menadiol monoacetate

C13H12O3CAS 2211-27-0216.24 g/mol

Open in Covalent MOL file
HOOO
EsterPhenol

Properties

Molecular formula
C13H12O3
Molar mass
216.24 g/mol
Exact mass
216.0786 Da
logP
2.78Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
2211-27-0
SMILES
CC1=C(C2=CC=CC=C2C(=C1)O)OC(=O)C
InChIKey
JPUZRBGFEWQQEW-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O3/c1-8-7-12(15)10-5-3-4-6-11(10)13(8)16-9(2)14/h3-7,15H,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Hydroxy-2-methyl-1-naphthyl acetate

Work with Menadiol monoacetate

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

Vitamin K4573-20-669 % similar 1-Acetoxy-2-methylnaphthalene5697-02-959 % similar 2-Methylphenyl acetate533-18-648 % similar Acetpyrogall525-52-043 % similar 1-Naphthyl acetate830-81-942 % similar Phenyl acetate122-79-241 % similar Acetylresorcinol102-29-441 % similar 2,5-Diacetoxytoluene717-27-141 % similar

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

Same formula

Methyl 4-Hydroxy-8-methyl-2-naphthoate16059-74-8 2-Ethoxy-1-naphthalenecarboxylic acid2224-00-2 6-Methoxy-2-naphthylacetic acid23981-47-7 3-Formyl-6-isopropylchromone49619-58-1 7-Methoxy-1-naphthaleneacetic acid6836-22-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook