chempirical

2-Methylbenzhydrol

C14H14OCAS 5472-13-9198.27 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C14H14O
Molar mass
198.27 g/mol
Exact mass
198.1045 Da
Melting point
95 °C
Boiling point
143–144 °C (at 1.5 Torr)
logP
3.08Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5472-13-9
SMILES
Cc1ccccc1C(O)c1ccccc1
InChIKey
MXHXXJOHFRHBFB-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14-15H,1H3

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Names and synonyms

10 names
  • Benzenemethanol, 2-methyl-α-phenyl-
  • Benzhydrol, 2-methyl-
  • 2-Methyl-α-phenylbenzenemethanol
  • o-Methylbenzhydrol
  • (2-Methylphenyl)phenylmethanol
  • α-(2-Methylphenyl)benzenemethanol
  • Phenyl(2-tolyl)methanol
  • NSC 27910
  • α-(2-Methylphenyl)benzyl alcohol
  • Phenyl(o-tolyl)methanol

Work with 2-Methylbenzhydrol

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

Diphenylmethanol91-01-056 % similar 2-Aminobenzhydrol13209-38-655 % similar 1-(Chlorophenylmethyl)-2-methylbenzene41870-52-455 % similar 2-(Trifluoromethyl)benzhydrol727-98-050 % similar O-Cymene527-84-448 % similar 4-Methoxybenzhydryl alcohol720-44-544 % similar 4-Chlorobenzhydrol119-56-244 % similar p-Bromobenzhydryl alcohol29334-16-544 % similar

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

Same formula

Dibenzyl ether103-50-4 4-Methylbenzhydrol1517-63-1 1,1′-Oxybis[4-methylbenzene]1579-40-4 4-(4-Ethylphenyl)phenol21345-28-8 1-(4-Biphenylyl)ethanol3562-73-0 1,1-Diphenylethanol599-67-7 2-Methyl[1,1′-biphenyl]-3-methanol76350-90-8

Elsewhere

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