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Ethanone,1-[4-(2-phenylethyl)phenyl]- (785-78-4)

Identification
Name:Ethanone,1-[4-(2-phenylethyl)phenyl]-
Synonyms:Acetophenone,4'-phenethyl- (7CI,8CI);1-[4-(2-Phenylethyl)phenyl]ethanone;4-(Phenethyl)acetophenone;4'-Phenethylacetophenone;
CAS:785-78-4
EINECS: 212-323-6
Molecular Formula: C16H16O
Molecular Weight: 224.2976
InChI: InChI=1/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
Molecular Structure: (C16H16O) Acetophenone,4'-phenethyl- (7CI,8CI);1-[4-(2-Phenylethyl)phenyl]ethanone;4-(Phenethyl)acetophenone;4...
Properties
Density:1.045 g/cm3
Refractive index:1.569
Specification:

The 4-Acetylbibenzyl with the CAS number 785-78-4 is also called Ethanone,1-[4-(2-phenylethyl)phenyl]-. The IUPAC name is 1-(4-phenethylphenyl)ethanone. Its molecular formula is C16H16O. The EINECS registry number is 212-323-6. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 833.13; (6)ACD/BCF (pH 7.4): 833.13; (7)ACD/KOC (pH 5.5): 4287.94; (8)ACD/KOC (pH 7.4): 4287.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 70.31 cm3; (15)Molar Volume: 214.4 cm3; (16)Polarizability: 27.87×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Enthalpy of Vaporization: 58.65 kJ/mol; (19)Vapour Pressure: 7.4×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CCc2ccccc2)C
(2)InChI: InChI=1/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
(3)InChIKey: KIRXEYNVGWVPRO-UHFFFAOYAO

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