chempirical

8-Methoxy-3,4-dihydronaphthalen-1(2H)-one

C11H12O2CAS 13185-18-7176.21 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C11H12O2
Molar mass
176.21 g/mol
Exact mass
176.0837 Da
logP
2.21Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13185-18-7
SMILES
COC1=CC=CC2=C1C(=O)CCC2
InChIKey
DJFIWDAAEBDDES-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c1-13-10-7-3-5-8-4-2-6-9(12)11(8)10/h3,5,7H,2,4,6H2,1H3

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

Work with 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one

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

5-Methoxy-1-tetralone33892-75-060 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-255 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-751 % similar 3,4-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-149 % similar 7-Methoxy-1-tetralone6836-19-749 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-247 % similar 1-Tetralone529-34-047 % similar 3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-447 % similar

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

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 Allyl phenylacetate1797-74-6 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5 (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-3

Elsewhere

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