chempirical

2,5-Dimethylbenzyl alcohol

C9H12OCAS 53957-33-8136.19 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C9H12O
Molar mass
136.19 g/mol
Exact mass
136.0888 Da
Boiling point
140–144 °C (at 37 Torr)
logP
1.80Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
53957-33-8
SMILES
Cc1ccc(C)c(CO)c1
InChIKey
LEBQTCCCNMTXSF-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7-3-4-8(2)9(5-7)6-10/h3-5,10H,6H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanol, 2,5-dimethyl-
  • Benzyl alcohol, 2,5-dimethyl-
  • 2,5-Dimethylbenzenemethanol
  • (2,5-Dimethylphenyl)methanol

Work with 2,5-Dimethylbenzyl alcohol

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

2,4-Dimethylbenzyl alcohol16308-92-270 % similar 2,5-Dimethylbenzyl chloride824-45-361 % similar 2,5-Dimethylbenzenemethanamine93-48-159 % similar 2,5-Dimethylbenzeneacetonitrile16213-85-753 % similar 2,5-Dimethylbenzeneacetic acid13612-34-553 % similar 2,6-Bis(hydroxymethyl)-P-cresol91-04-352 % similar 1,2,4-Trimethylbenzene95-63-650 % similar 2,4,6-Trimethylbenzyl alcohol4170-90-548 % similar

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

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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