chempirical

α-Naphtholbenzein

C27H18O2CAS 145-50-6374.44 g/mol

Open in Covalent MOL file
OOH
AlkeneKetonePhenol

Properties

Molecular formula
C27H18O2
Molar mass
374.44 g/mol
Exact mass
374.1307 Da
logP
6.26Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
145-50-6
SMILES
O=C1C=CC(=C(c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc21
InChIKey
VDDWRTZCUJCDJM-UHFFFAOYSA-N
InChI
InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H

Weigh it out

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Names and synonyms

5 names
  • 1(4H)-Naphthalenone, 4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]-
  • 1(4H)-Naphthalenone, 4-[α-(4-hydroxy-1-naphthyl)benzylidene]-
  • 4-[(4-Hydroxy-1-naphthalenyl)phenylmethylene]-1(4H)-naphthalenone
  • p-Naphtholbenzein
  • NSC 9862

Work with α-Naphtholbenzein

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′-Hydroxychalcone1214-47-743 % similar Juglone481-39-041 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-139 % similar trans-1,2-Dibenzoylethylene959-28-439 % similar 2-Hydroxychalcone644-78-039 % similar Naphthazarin475-38-737 % similar 2-Hydroxybenzophenone117-99-737 % similar 2,3,4-Trihydroxybenzophenone1143-72-237 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook