4-(prop-2-en-1-yloxy)phenol

• ChemBase ID: 283150
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: C(=C)COc1ccc(cc1)O
• Canonical SMILES: C=CCOc1ccc(cc1)O
• InChI: InChI=1S/C9H10O2/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6,10H,1,7H2
• InChIKey: PWRCOONECNWDBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-en-1-yloxy)phenol
• IUPAC Traditional name: 4-(prop-2-en-1-yloxy)phenol
• Synonyms: 4-(prop-2-en-1-yloxy)phenol

Database IDs

• MDL Number: MFCD02113809
• PubChem SID: 180668681
• PubChem CID: 1713883

CALCULATED PROPERTIES

• Acid pKa: 9.916777
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2432425
• LogD (pH = 7.4): 2.241947
• Log P: 2.243259
• Molar Refractivity: 43.6648 cm^3
• Polarizability: 16.889824 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C
• Hydrophobicity(logP): 2.348

Product Information

• Purity: 95%