4-(cyclopropylmethoxy)phenol

• ChemBase ID: 265519
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: C1(CC1)COc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)OCC1CC1
• InChI: InChI=1S/C10H12O2/c11-9-3-5-10(6-4-9)12-7-8-1-2-8/h3-6,8,11H,1-2,7H2
• InChIKey: QEFZFASAZLTLEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylmethoxy)phenol
• IUPAC Traditional name: 4-(cyclopropylmethoxy)phenol
• Synonyms: 4-(cyclopropylmethoxy)phenol

Database IDs

• MDL Number: MFCD12138943
• PubChem SID: 164321429
• PubChem CID: 13755495

CALCULATED PROPERTIES

• Acid pKa: 9.929033
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2925704
• LogD (pH = 7.4): 2.2913108
• Log P: 2.2925866
• Molar Refractivity: 46.4441 cm^3
• Polarizability: 18.2425 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): 2.547

Product Information

• Purity: 95%