chempirical

3,5-Dimethylbenzyl alcohol

C9H12OCAS 27129-87-9136.19 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
219.5 °C
logP
1.80Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
27129-87-9
SMILES
Cc1cc(C)cc(CO)c1
InChIKey
IQWWTJDRVBWBEL-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)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

5 names
  • Benzenemethanol, 3,5-dimethyl-
  • Benzyl alcohol, 3,5-dimethyl-
  • 3,5-Dimethylbenzenemethanol
  • (3,5-Dimethylphenyl)methanol
  • 1-(Hydroxymethyl)-3,5-dimethylbenzene

Work with 3,5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylbenzyl alcohol587-03-160 % similar 2,4,6-Trimethylbenzyl alcohol4170-90-552 % similar Mesitylene108-67-850 % similar 3,5-Dimethylbenzyl chloride2745-54-250 % similar 3,5-Dimethylbenzenemethanamine78710-55-150 % similar 2,6-Bis(hydroxymethyl)-P-cresol91-04-350 % similar 3,5-Dimethylbenzeneacetonitrile39101-54-746 % similar 3,5-Dihydroxybenzyl alcohol29654-55-546 % 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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