1-(2-methoxy-5-methylphenyl)propan-1-ol

• ChemBase ID: 246631
• Molecular Formular: C11H16O2
• Molecular Mass: 180.24354
• Monoisotopic Mass: 180.11502975
• SMILES: c1(c(ccc(c1)C)OC)C(O)CC
• Canonical SMILES: CCC(c1cc(C)ccc1OC)O
• InChI: InChI=1S/C11H16O2/c1-4-10(12)9-7-8(2)5-6-11(9)13-3/h5-7,10,12H,4H2,1-3H3
• InChIKey: KOTNNLQJPSBEIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxy-5-methylphenyl)propan-1-ol
• IUPAC Traditional name: 1-(2-methoxy-5-methylphenyl)propan-1-ol
• Synonyms: 1-(2-methoxy-5-methylphenyl)propan-1-ol

Database IDs

• MDL Number: MFCD11521227
• PubChem SID: 164302541
• PubChem CID: 61080550

CALCULATED PROPERTIES

• Acid pKa: 14.272985
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5007436
• LogD (pH = 7.4): 2.5007436
• Log P: 2.5007436
• Molar Refractivity: 53.3211 cm^3
• Polarizability: 20.748028 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.36

Product Information

• Purity: 95%