chempirical

4-Hydroxy-α-(4-hydroxy-1-naphthalenyl)-α-phenyl-1-naphthalenemethanol

C27H20O3CAS 6948-88-5392.45 g/mol

Open in Covalent MOL file
OHOHHO
AlcoholPhenol

Properties

Molecular formula
C27H20O3
Molar mass
392.45 g/mol
Exact mass
392.1412 Da
logP
5.69Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
6948-88-5
SMILES
Oc1ccc(C(O)(c2ccccc2)c2ccc(O)c3ccccc23)c2ccccc12
InChIKey
OUYLDJXFDLBCTQ-UHFFFAOYSA-N
InChI
InChI=1S/C27H20O3/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(30,18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28-30H

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Names and synonyms

2 names
  • 1-Naphthalenemethanol, 4-hydroxy-α-(4-hydroxy-1-naphthalenyl)-α-phenyl-
  • NSC 68055

Work with 4-Hydroxy-α-(4-hydroxy-1-naphthalenyl)-α-phenyl-1-naphthalenemethanol

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

1,4-Naphthalenediol571-60-854 % similar 9-Phenylxanthen-9-ol596-38-347 % similar 2,7-Dibromo-9-phenyl-9H-fluoren-9-ol132717-37-446 % similar 1,5-Dihydroxynaphthalene83-56-743 % similar α,α-Diphenyl-4-pyridinemethanol1620-30-042 % similar 4-Chloro-1-naphthol604-44-442 % similar Naphtholphthalein596-01-040 % similar 4-Amino-1-naphthol hydrochloride5959-56-839 % similar

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

Elsewhere

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