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85353-67-9

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Basic Information
CAS No.: 85353-67-9
Name: (phenylmethyl)[1,1'-biphenyl]-4-ol
Molecular Structure:
Molecular Structure of 85353-67-9 ((phenylmethyl)[1,1'-biphenyl]-4-ol)
Formula: C19H16O
Molecular Weight: 260.32974
Synonyms: 3-Benzyl-4-phenylphenol;Einecs 286-730-2;
EINECS: 286-730-2
Density: 1.119 g/cm3
Boiling Point: 410.6 °C at 760 mmHg
Flash Point: 195.2 °C
PSA: 20.23000
LogP: 4.65000
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Specification

The (Phenylmethyl)(1, 1-biphenyl)-4-ol, has the CAS registry number of 85353-67-9. Its EINECS registry number is 286-730-2. This chemical's molecular formula is C19H16O and molecular weight is 260.32974. What's more, its IUPAC name is 3-Benzyl-4-phenylphenol and its systematic name is 3-Benzylbiphenyl-4-ol.

Physical properties about (Phenylmethyl)(1, 1-biphenyl)-4-ol are: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 5.19; (5)ACD/BCF (pH 5.5): 5169.39; (6)ACD/BCF (pH 7.4): 5160.65; (7)ACD/KOC (pH 5.5): 15836.87; (8)ACD/KOC (pH 7.4): 15810.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 82.04 cm3; (15)Molar Volume: 232.5 cm3; (16)Polarizability: 32.52×10-24 cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.119 g/cm3; (19)Flash Point: 195.2 °C; (20)Enthalpy of Vaporization: 68.88 kJ/mol; (21)Boiling Point: 410.6 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1Cc2ccccc2)c3ccccc3
(2) InChI: InChI=1/C19H16O/c20-19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2
(3) InChIKey: YZCWXIRNXBSTTB-UHFFFAOYAA