3-chloro-5-methoxyphenol

• ChemBase ID: 294385
• Molecular Formular: C7H7ClO2
• Molecular Mass: 158.58228
• Monoisotopic Mass: 158.01345714
• SMILES: Oc1cc(OC)cc(Cl)c1
• Canonical SMILES: COc1cc(O)cc(c1)Cl
• InChI: InChI=1S/C7H7ClO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,1H3
• InChIKey: LZVYZZFCAMPFOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-methoxyphenol
• IUPAC Traditional name: 3-chloro-5-methoxyphenol
• Synonyms: 3-Chloro-5-methoxyphenol

Database IDs

• CAS Number: 65262-96-6
• PubChem SID: 180679916
• PubChem CID: 103339

CALCULATED PROPERTIES

• Acid pKa: 8.761949
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.115818
• LogD (pH = 7.4): 2.097703
• Log P: 2.1160538
• Molar Refractivity: 39.3069 cm^3
• Polarizability: 15.355085 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%