4-(4-hydroxyphenoxy)phenol

• ChemBase ID: 107991
• Molecular Formular: C12H10O3
• Molecular Mass: 202.206
• Monoisotopic Mass: 202.06299418
• SMILES: Oc1ccc(Oc2ccc(O)cc2)cc1
• Canonical SMILES: Oc1ccc(cc1)Oc1ccc(cc1)O
• InChI: InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
• InChIKey: NZGQHKSLKRFZFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-hydroxyphenoxy)phenol
• IUPAC Traditional name: phenol, 4,4'-oxybis-
• Synonyms: 4,4'-DIHYDROXYDIPHENYL ETHER

Database IDs

• CAS Number: 1965-09-9
• EC Number: 217-809-1
• PubChem SID: 162094902
• PubChem CID: 16069

CALCULATED PROPERTIES

• Acid pKa: 9.397479
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8663478
• LogD (pH = 7.4): 2.8620696
• Log P: 2.8664024
• Molar Refractivity: 56.2606 cm^3
• Polarizability: 21.859274 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: SM6040000

DETAILS

MP Biomedicals - 05205693

MP Biomedicals Rare Chemical collection