3-Isopropyl-5-methylphenol

C10H14OCAS 3228-03-3150.22 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Melting point
49 °C
Boiling point
128 °C (at 19 Torr)
logP
2.82Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 101 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3228-03-3
SMILES
Cc1cc(O)cc(C(C)C)c1
InChIKey
ZDUIHRJGDMTBEX-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3

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Names and synonyms

8 names
  • Phenol, 3-methyl-5-(1-methylethyl)-
  • m-Cymen-5-ol
  • m-Cresol, 5-isopropyl-
  • 3-Methyl-5-(1-methylethyl)phenol
  • 3-Methyl-5-isopropylphenol
  • 5-Isopropyl-3-methylphenol
  • 5-Isopropyl-m-cresol
  • 3-Methyl-5-(propan-2-yl)phenol

Work with 3-Isopropyl-5-methylphenol

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

3,5-Dimethylphenol108-68-958 % similar Orcinol504-15-458 % similar Orcinol monohydrate6153-39-552 % similar 3-Isopropylphenol618-45-150 % similar 3-Fluoro-5-methylphenol216976-31-748 % similar M-Cymene535-77-347 % similar 4-Isopropylphenol99-89-846 % similar 1,3,5-Triisopropylbenzene717-74-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-3 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8

Elsewhere

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