chempirical

2,3-Dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-1H-inden-1-one

C17H15NO3CAS 4803-74-1281.31 g/mol

Open in Covalent MOL file
ONOO
AlkeneEtherKetone

Properties

Molecular formula
C17H15NO3
Molar mass
281.31 g/mol
Exact mass
281.1052 Da
logP
2.92Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

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
4803-74-1
SMILES
COC1=C(C=C2C(=C1)C/C(=C\C3=CC=NC=C3)/C2=O)OC
InChIKey
SUVQWDLUAIFZKM-NTUHNPAUSA-N
InChI
InChI=1S/C17H15NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h3-7,9-10H,8H2,1-2H3/b13-7+

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Names and synonyms

1 names
  • 5,6-Dimethoxy-2-(pyridine-4-yl)methylene-indan-1-one

Work with 2,3-Dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-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

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-241 % similar 5,6-Dimethoxy-1-indanone2107-69-940 % similar 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one16135-41-437 % similar 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine120014-30-434 % similar 2-Bromo-4,5-dimethoxyphenylacetic acid4697-62-534 % similar 1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline6957-27-334 % similar 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride120013-39-033 % similar 2,4,5-Trimethoxybenzoic acid490-64-233 % similar

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

Same formula

7-(Benzyloxy)-6-methoxyquinolin-4-ol205448-29-9 5-Benzyloxyindole-3-acetic acid4382-53-0

Elsewhere

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