3-Methyl-4-isopropylphenol

C₁₀H₁₄OCAS 39660-61-2150.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄O
Molar mass: 150.22 g/mol
Exact mass: 150.1045 Da
logP: 2.82Crippen 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

39660-61-2

SMILES

CC1=C(C=CC(=C1)O)C(C)C

InChIKey

IJALWSVNUBBQRA-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3

Weigh it out

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

Names and synonyms

1 names

O-Cymen-5-ol

Work with 3-Methyl-4-isopropylphenol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Methyl-4-isopropylphenol3228-02-2

Similar compounds

4-Isopropylresorcinol23504-03-262 % similar 3,4-Xylenol95-65-856 % similar Methylhydroquinone95-71-652 % similar 4-Bromo-3-methylphenol14472-14-148 % similar 4-Amino-3-methylphenol2835-99-648 % similar 4-Fluoro-3-methylphenol452-70-048 % similar P-Chlorocresol59-50-748 % similar O-Cymene527-84-448 % 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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