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Basic Information
CAS No.: 608119-82-0
Name: 4-Benzyloxy-3-methylacetophenone
Article Data: 9
Molecular Structure:
Molecular Structure of 608119-82-0 (4-Benzyloxy-3-methylacetophenone)
Formula: C16H16O2
Molecular Weight: 240.302
Synonyms: 1-[4-(benzyloxy)-2-methylphenyl]ethanone;4-benzyloxy-2-methyl-acetophenone;4-BENZYLOXY-3-METHYLACETOPHENONE;1-{2-methyl-4-[(phenylmethyl)oxy]phenyl}ethanone;4-bromo-2-butenoic acid;
Density: 1.082 g/cm3
Boiling Point: 392.7 °C at 760 mmHg
Flash Point: 175.5 °C
PSA: 26.30000
LogP: 3.77660
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Specification

The 4-Benzyloxy-3-methylacetophenone has CAS registry number 608119-82-0. Its molecular formula is C16H16O2 and molecular weight is 240.297. What's more, its systematic name is 1-[4-(Benzyloxy)-3-methylphenyl]ethanone.

Physical properties about the 4-Benzyloxy-3-methylacetophenone are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 501.35; (6)ACD/BCF (pH 7.4): 501.35; (7)ACD/KOC (pH 5.5): 2981.01; (8)ACD/KOC (pH 7.4): 2981.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 72.27 cm3; (15)Molar Volume: 221.9 cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.082 g/cm3; (18)Flash Point: 175.5 °C; (19)Enthalpy of Vaporization: 64.25 kJ/mol; (20)Boiling Point: 392.7 °C at 760 mmHg; (21)Vapour Pressure: 2.24E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c2ccc(OCc1ccccc1)c(C)c2
(2) InChI: InChI=1/C16H16O2/c1-12-10-15(13(2)17)8-9-16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
(3) InChIKey: InChI=1/C16H16O2/c1-12-10-15(13(2)17)8-9-16(12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3