2,3,6-Trimethylphenol

C₉H₁₂OCAS 2416-94-6136.19 g/mol

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Properties

Molecular formula: C₉H₁₂O
Molar mass: 136.19 g/mol
Exact mass: 136.0888 Da
Melting point: 58 °C
Boiling point: 226 °C
logP: 2.32Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

2416-94-6

SMILES

Cc1ccc(C)c(O)c1C

InChIKey

QQOMQLYQAXGHSU-UHFFFAOYSA-N

InChI

InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3

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Names and synonyms

3 names

Phenol, 2,3,6-trimethyl-
3-Hydroxypseudocumene
NSC 91509

Work with 2,3,6-Trimethylphenol

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

Prehnitene488-23-358 % similar Poly(P-phenylene oxide)25134-01-455 % similar 2,6-Xylenol576-26-155 % similar Trimethylhydroquinone700-13-050 % similar Dimethylphenol1300-71-646 % similar 3-Methylcatechol488-17-546 % similar 2,3-Dimethylphenol526-75-046 % similar 2-Bromo-6-methylphenol13319-71-644 % 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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