chempirical

2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one

C16H13NO3CAS 167869-21-8267.28 g/mol

Open in Covalent MOL file
OOONH2
EtherPrimary amine

Properties

Molecular formula
C16H13NO3
Molar mass
267.28 g/mol
Exact mass
267.0895 Da
logP
3.05Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
167869-21-8
SMILES
COc1cccc(-c2cc(=O)c3ccccc3o2)c1N
InChIKey
QFWCYNPOPKQOKV-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

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Names and synonyms

7 names
  • 2-(2-Amino-3-methoxyphenyl)-4H-chromen-4-one
  • 4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)-
  • PD 98059
  • NSC 679828
  • PD 098059
  • 2-(2′-Amino-3′-methoxyphenyl)oxanaphthalen-4-one
  • 2-(2-Amino-3-methoxyphenyl)chromen-4-one

Work with 2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-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′-Dimethoxyflavone4143-62-859 % similar 5-Methoxyflavone42079-78-751 % similar 6-Methoxyflavone26964-24-945 % similar 2-Methoxy-3-dibenzofuranamine5834-17-344 % similar 3′,4′-Dihydroxyflavone4143-64-042 % similar 5,7-Dimethoxyflavone21392-57-441 % similar 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one973-67-141 % similar 2-Methoxy-6-methylaniline50868-73-038 % similar

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

Same formula

5-(Phenylmethoxy)-1H-indole-2-carboxylic acid6640-09-1

Elsewhere

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