2,3,4,5,6-Pentamethylbenzenemethanol

C₁₂H₁₈OCAS 484-66-2178.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈O
Molar mass: 178.27 g/mol
Exact mass: 178.1358 Da
Melting point: 136–137 °C
logP: 2.72Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

484-66-2

SMILES

Cc1c(C)c(C)c(CO)c(C)c1C

InChIKey

CMBCAWNOBIGGTE-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3

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Names and synonyms

6 names

Benzenemethanol, 2,3,4,5,6-pentamethyl-
Benzyl alcohol, 2,3,4,5,6-pentamethyl-
2,3,4,5,6-Pentamethylbenzyl alcohol
(Pentamethylphenyl)methanol
Pentamethylbenzyl alcohol
Pentamethylbenzenemethanol

Work with 2,3,4,5,6-Pentamethylbenzenemethanol

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-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-752 % similar Pentamethylbenzyl chloride484-65-143 % similar (2,6-Dimethylphenyl)methanol62285-58-942 % similar 2,4,6-Trimethylbenzyl alcohol4170-90-540 % similar Hexamethylbenzene87-85-440 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedimethanol92339-07-638 % similar Pentafluorobenzyl alcohol440-60-836 % similar 2,3-Dimethylbenzenemethanol13651-14-436 % similar

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

Same formula

α-Ethyl-α-methylbenzenepropanol10415-87-9 Benzyl isopentyl ether122-73-6 Amylmetacresol1300-94-3 Cyclohexenylcyclohexanone1502-22-3 1-Acetyladamantane1660-04-4 2,4-Dimethyl-6-tert-butylphenol1879-09-0 Propofol2078-54-8 6-Phenyl-1-hexanol2430-16-2

Elsewhere

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