4-cyclopropylphenol

• ChemBase ID: 287579
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: Oc1ccc(C2CC2)cc1
• Canonical SMILES: Oc1ccc(cc1)C1CC1
• InChI: InChI=1S/C9H10O/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7,10H,1-2H2
• InChIKey: IGIWPHRUBXKMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropylphenol
• IUPAC Traditional name: 4-cyclopropylphenol
• Synonyms: 4-Cyclopropylphenol

Database IDs

• CAS Number: 10292-61-2
• MDL Number: MFCD06802405
• PubChem SID: 180673110
• PubChem CID: 10986277

CALCULATED PROPERTIES

• Acid pKa: 10.256642
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.450956
• LogD (pH = 7.4): 2.4503634
• Log P: 2.4509637
• Molar Refractivity: 40.4275 cm^3
• Polarizability: 15.656078 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%