[5-chloro-2-(prop-2-en-1-yloxy)phenyl]methanol

• ChemBase ID: 312460
• Molecular Formular: C10H11ClO2
• Molecular Mass: 198.64614
• Monoisotopic Mass: 198.04475727
• SMILES: c1(c(ccc(c1)Cl)OCC=C)CO
• Canonical SMILES: C=CCOc1ccc(cc1CO)Cl
• InChI: InChI=1S/C10H11ClO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h2-4,6,12H,1,5,7H2
• InChIKey: WOHDJLCEYLGTCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-chloro-2-(prop-2-en-1-yloxy)phenyl]methanol
• IUPAC Traditional name: [5-chloro-2-(prop-2-en-1-yloxy)phenyl]methanol
• Synonyms: [2-(allyloxy)-5-chlorophenyl]methanol

Database IDs

• CAS Number: 787619-52-7
• MDL Number: MFCD08691936

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3835192
• LogD (pH = 7.4): 2.3835192
• Log P: 2.3835192
• Molar Refractivity: 53.3046 cm^3
• Polarizability: 20.605707 Å^3
• Polar Surface Area: 29.46 Å^2