1-(Chlorophenylmethyl)-2-methylbenzene

C₁₄H₁₃ClCAS 41870-52-4216.71 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₃Cl
Molar mass: 216.71 g/mol
Exact mass: 216.0706 Da
Boiling point: 118–119 °C (at 1 Torr)
logP: 4.32Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

41870-52-4

SMILES

Cc1ccccc1C(Cl)c1ccccc1

InChIKey

VTZTUKIBJQCCMO-UHFFFAOYSA-N

InChI

InChI=1S/C14H13Cl/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3

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Names and synonyms

2 names

Benzene, 1-(chlorophenylmethyl)-2-methyl-
Methane, chlorophenyl-o-tolyl-

Work with 1-(Chlorophenylmethyl)-2-methylbenzene

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

Chlorodiphenylmethane90-99-356 % similar 2-Methylbenzhydrol5472-13-955 % similar O-Cymene527-84-448 % similar 4-Chlorobenzhydryl chloride134-83-845 % similar 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-240 % similar 1-Phenylethyl chloride672-65-140 % similar O-Xylene95-47-640 % similar Benzal chloride98-87-339 % similar

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

Elsewhere

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