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81443-45-0

Basic Information
CAS No.: 81443-45-0
Name: (3'-Methoxybiphenyl-4-yl)-methanol
Article Data: 2
Molecular Structure:
Molecular Structure of 81443-45-0 ((3'-Methoxybiphenyl-4-yl)-methanol)
Formula: C14H14O2
Molecular Weight: 214.264
Synonyms: AKOS BAR-1800;4-(2-Hydroxyphenyl)benzyl alcohol;4-(3-Methoxyphenyl)benzyl alcohol;(3'-Methoxy[1,1'-biphenyl]-4-yl)methanol;
Density: 1.113 g/cm3
Boiling Point: 369.254 °C at 760 mmHg
Flash Point: 168.75 °C
PSA: 29.46000
LogP: 2.85450
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Specification

The (3'-Methoxybiphenyl-4-yl)-methanol, with the CAS registry number of 81443-45-0, is also known as (3'-Methoxy[1,1'-biphenyl]-4-yl)methanol. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C14H14O2 and molecular weight is 214.26. What's more, its IUPAC name is [4-(3-Methoxyphenyl)phenyl]methanol.

Physical properties about (3'-Methoxybiphenyl-4-yl)-methanol are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 52; (6)ACD/BCF (pH 7.4): 52; (7)ACD/KOC (pH 5.5): 586; (8)ACD/KOC (pH 7.4): 586; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 63.975 cm3; (15)Molar Volume: 192.537 cm3; (16)Polarizability: 25.362×10-24 cm3; (17)Surface Tension: 42.239 dyne/cm; (18)Density: 1.113 g/cm3; (19)Flash Point: 168.75 °C; (20)Enthalpy of Vaporization: 64.99 kJ/mol; (21)Boiling Point: 369.254 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1)c2ccc(CO)cc2
(2) InChI: InChI=1/C14H14O2/c1-16-14-4-2-3-13(9-14)12-7-5-11(10-15)6-8-12/h2-9,15H,10H2,1H3
(3) InChIKey: IJIHRRZFDGSFOQ-UHFFFAOYAH