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123769-53-9

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Basic Information
CAS No.: 123769-53-9
Name: (3,4-Dipropoxyphenyl)-phenyl-methanone
Molecular Structure:
Molecular Structure of 123769-53-9 ((3,4-Dipropoxyphenyl)-phenyl-methanone)
Formula: C19H22O3
Molecular Weight: 298.3762
Synonyms: (3,4-Dipropoxyphenyl)phenylmethanone;Methanone, (3,4-dipropoxyphenyl)phenyl-;
EINECS:
Density: 1.059 g/cm3
Melting Point:
Boiling Point: 431.5 °C at 760 mmHg
Flash Point: 206.6 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA:
LogP:
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    (3,4-Dipropoxyphenyl)-phenyl-methanone

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  • (3,4-Dipropoxyphenyl)-phenyl-methanone

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    (3,4-Dipropoxyphenyl)-phenyl-methanone

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Specification

The (3,4-Dipropoxyphenyl)-phenyl-methanone has CAS registry number 123769-53-9. This chemical's molecular formula is C19H22O3 and molecular weight is 298.3762. What's more, its IUPAC name is (3,4-Dipropoxyphenyl)-phenylmethanone. This chemical's classification codes are Drug; Therapeutic Agent.

Physical properties about (3,4-Dipropoxyphenyl)-phenyl-methanone are: (1)ACD/LogP: 5.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.43; (4)ACD/LogD (pH 7.4): 5.43; (5)ACD/BCF (pH 5.5): 7868.3; (6)ACD/BCF (pH 7.4): 7868.3; (7)ACD/KOC (pH 5.5): 21392.53; (8)ACD/KOC (pH 7.4): 21392.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 87.93 cm3; (15)Molar Volume: 281.5 cm3; (16)Polarizability: 34.85×10-24 cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.059 g/cm3; (19)Flash Point: 206.6 °C; (20)Enthalpy of Vaporization: 68.71 kJ/mol; (21)Boiling Point: 431.5 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-07 mmHg at 25 °C.

Preparation of (3,4-Dipropoxyphenyl)-phenyl-methanone: this chemical is prepared by reaction of Benzoyl chloride with 1,2-Dipropoxy-benzene. The reaction needs reagent AlCl3 and solvent CH2Cl2. The reaction time is 3 hours with reaction temperature of 20 °C. The yield is about 91 %.

(3,4-Dipropoxyphenyl)-phenyl-methanone can be used to produce 1,2-Dipropoxy-benzene.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(OCCC)c(OCCC)cc1)c2ccccc2
(2) InChI: InChI=1/C19H22O3/c1-3-12-21-17-11-10-16(14-18(17)22-13-4-2)19(20)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3
(3) InChIKey: DSLQERVRCPYMRC-UHFFFAOYAG