2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

C₁₉H₁₇NO₅CAS 141645-16-1339.35 g/mol

Open in Covalent MOL file

Ketone Nitro Phenol

Properties

Molecular formula: C₁₉H₁₇NO₅
Molar mass: 339.35 g/mol
Exact mass: 339.1107 Da
logP: 4.62Crippen estimate
Polar surface area: 93.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Identifiers

CAS number

141645-16-1

SMILES

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1

InChIKey

ZJZKLBXEGZKOBW-UHFFFAOYSA-N

InChI

InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3

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

Names and synonyms

6 names

Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-
(2-Butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)methanone
2-Butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran
(2-Butyl-5-nitrobenzo[b]furan-3-yl)(4-hydroxyphenyl)methanone
(2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone
(2-Butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

Work with 2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

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-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran141645-23-069 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-066 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-449 % similar Benzarone1477-19-648 % similar 2-Butyl-5-nitrobenzofuran133238-87-647 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-846 % similar Dronedarone141626-36-044 % similar Amiodarone1951-25-341 % similar

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

Elsewhere

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