4-(cyclohexylamino)phenol

• ChemBase ID: 271188
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N(c1ccc(cc1)O)C1CCCCC1
• Canonical SMILES: Oc1ccc(cc1)NC1CCCCC1
• InChI: InChI=1S/C12H17NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h6-10,13-14H,1-5H2
• InChIKey: ZWNKVPHOSQGNRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12044276
• PubChem SID: 164327098
• PubChem CID: 43742765

CALCULATED PROPERTIES

• Acid pKa: 10.3469
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.938489
• LogD (pH = 7.4): 2.8906527
• Log P: 2.941729
• Molar Refractivity: 59.2469 cm^3
• Polarizability: 22.399078 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.005

Product Information

• Purity: 95%