(S)-(4-Chlorophenyl)(pyridin-2-yl)methanol

C₁₂H₁₀ClNOCAS 176022-47-2219.67 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₂H₁₀ClNO
Molar mass: 219.67 g/mol
Exact mass: 219.0451 Da
logP: 2.82Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

176022-47-2

SMILES

C1=CC=NC(=C1)[C@H](C2=CC=C(C=C2)Cl)O

InChIKey

ZFUPOFQRQNJDNS-LBPRGKRZSA-N

InChI

InChI=1S/C12H10ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8,12,15H/t12-/m0/s1

Weigh it out

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

Work with (S)-(4-Chlorophenyl)(pyridin-2-yl)methanol

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

4-Chlorobenzhydrol119-56-259 % similar 4,4′-Dichlorobenzhydrol90-97-157 % similar 2-((4-Chlorophenyl)(4-piperidinyloxy)methyl)pyridine122368-54-148 % similar Chlorpheniramine maleate113-92-842 % similar 2-[(4-Chlorophenyl)methyl]pyridine4350-41-841 % similar Carbinoxamine maleate3505-38-240 % similar Bepotastine125602-71-339 % similar 4-Chlorobenzhydryl chloride134-83-839 % similar

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

Same formula

4-(4-Chlorophenoxy)benzenamine101-79-1 α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-7 2-(4-Chlorophenoxy)benzenamine2770-11-8 5-Chloro-2-phenoxybenzenamine93-67-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook