chempirical

2-Butyl-3-(4-hydroxybenzoyl)benzofuran

C19H18O3CAS 52490-15-0294.35 g/mol

Open in Covalent MOL file
OOHO
KetonePhenol

Properties

Molecular formula
C19H18O3
Molar mass
294.35 g/mol
Exact mass
294.1256 Da
logP
4.71Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
52490-15-0
SMILES
CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
InChIKey
ZHGKQUXXASLVQQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Methanone, (2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-
  • Ketone, 2-butyl-3-benzofuranyl p-hydroxyphenyl
  • (2-Butyl-3-benzofuranyl)(4-hydroxyphenyl)methanone
  • L 3372
  • NSC 85438
  • (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)methanone
  • (2-Butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

Work with 2-Butyl-3-(4-hydroxybenzoyl)benzofuran

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

Benzarone1477-19-674 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-469 % similar 2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran141645-16-166 % similar Amiodarone1951-25-355 % similar Amiodarone hydrochloride19774-82-453 % similar Benzbromarone3562-84-350 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-846 % similar 2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran141645-23-044 % similar

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

Same formula

Tanshinone iia568-72-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook