4-methyl-2-(propan-2-yl)phenol

• ChemBase ID: 294628
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: Oc1ccc(C)cc1C(C)C
• Canonical SMILES: Cc1ccc(c(c1)C(C)C)O
• InChI: InChI=1S/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3
• InChIKey: DSTPUJAJSXTJHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(propan-2-yl)phenol
• IUPAC Traditional name: 6-isopropyl-p-cresol
• Synonyms: 2-Isopropyl-4-methylphenol

Database IDs

• CAS Number: 4427-56-9
• MDL Number: MFCD00151522
• PubChem SID: 180680159
• PubChem CID: 78153

CALCULATED PROPERTIES

• Acid pKa: 10.839934
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4281092
• LogD (pH = 7.4): 3.4279542
• Log P: 3.428111
• Molar Refractivity: 47.2709 cm^3
• Polarizability: 18.161558 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%