Demethoxyencecalin

C₁₃H₁₄O₂CAS 19013-07-1202.25 g/mol

Open in Covalent MOL file

Alkene Ether Ketone

Properties

Molecular formula: C₁₃H₁₄O₂
Molar mass: 202.25 g/mol
Exact mass: 202.0994 Da
logP: 3.07Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
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

19013-07-1

SMILES

CC(=O)c1ccc2c(c1)C=CC(C)(C)O2

InChIKey

ZAJTXVHECZCXLH-UHFFFAOYSA-N

InChI

InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

9 names

Ethanone, 1-(2,2-dimethyl-2H-1-benzopyran-6-yl)-
Ketone, 2,2-dimethyl-2H-1-benzopyran-6-yl methyl
1-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethanone
Desmethoxyencecalin
6-Acetyl-2,2-dimethylchromene
6-Acetyl-2,2-dimethyl-2H-1-benzopyran
1-(2,2-Dimethylchromen-6-yl)ethanone
1-(2,2-Dimethyl-2H-chromen-6-yl)ethan-1-one
1-(2,2-Dimethyl-2H-chromen-6-yl)ethanone

Work with Demethoxyencecalin

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

2,2-Dimethyl-2H-chromene-6-carbonitrile33143-29-250 % similar 3,4-Dimethoxyacetophenone1131-62-046 % similar 1-(3-Bromo-4-methoxyphenyl)ethanone35310-75-945 % similar 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-145 % similar 5-Acetyl-1,3-benzodioxole3162-29-645 % similar 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one22776-09-643 % similar 4'-Methoxy-3'-(trifluoromethyl)acetophenone149105-10-243 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-442 % similar

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

Same formula

1-(6-Methoxy-2-naphthyl)ethanol77301-42-9

Elsewhere

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