4-Methoxy-2,3-dihydro-1H-inden-1-one

C₁₀H₁₀O₂CAS 13336-31-7162.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O₂
Molar mass: 162.19 g/mol
Exact mass: 162.0681 Da
logP: 1.82Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

13336-31-7

SMILES

COC1=CC=CC2=C1CCC2=O

InChIKey

BTYSYELHQDGJAB-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4H,5-6H2,1H3

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

Names and synonyms

1 names

4-Methoxy-1-indanone

Work with 4-Methoxy-2,3-dihydro-1H-inden-1-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-tetralone33892-75-082 % similar 4-Chloroindan-1-one15115-59-056 % similar 4-Bromo-1-indanone15115-60-356 % similar 3,4-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-155 % similar 5,6-Dimethoxy-1-indanone2107-69-953 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-051 % similar 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-751 % similar 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-550 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 6-Methoxy-1-indanone13623-25-1 2-Methoxycinnamaldehyde1504-74-1

Elsewhere

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