2-ethyl-4,5-dimethylphenol

• ChemBase ID: 107529
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: CCc1cc(C)c(C)cc1O
• Canonical SMILES: CCc1cc(C)c(cc1O)C
• InChI: InChI=1S/C10H14O/c1-4-9-5-7(2)8(3)6-10(9)11/h5-6,11H,4H2,1-3H3
• InChIKey: ZUDAICPAUJSPHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4,5-dimethylphenol
• IUPAC Traditional name: 2-ethyl-4,5-dimethylphenol
• Synonyms: 2-Ethyl-4,5-dimethylphenol; 3,4-DIMETHYL-6-ETHYLPHENOLE

Database IDs

• CAS Number: 2219-78-5
• PubChem SID: 162093922
• PubChem CID: 247477
• Wikipedia Title: 2-Ethyl-4,5-dimethylphenol

CALCULATED PROPERTIES

• Acid pKa: 10.7355995
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6545107
• LogD (pH = 7.4): 3.6543138
• Log P: 3.6545134
• Molar Refractivity: 47.7635 cm^3
• Polarizability: 18.08211 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204078

MP Biomedicals Rare Chemical collection