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2605-18-7

Basic Information
CAS No.: 2605-18-7
Name: 1-METHOXY-4-(1-PHENYL-ETHYL)-BENZENE
Article Data: 78
Molecular Structure:
Molecular Structure of 2605-18-7 (1-METHOXY-4-(1-PHENYL-ETHYL)-BENZENE)
Formula: C15H16O
Molecular Weight: 212.291
Synonyms: Anisole,p-(a-methylbenzyl)- (7CI,8CI);1-(4-Methoxyphenyl)-1-phenylethane;NSC 163360;
Density: 1.01 g/cm3
Melting Point: 75-76 °C
Boiling Point: 311.249 °C at 760 mmHg
Flash Point: 121.705 °C
PSA: 9.23000
LogP: 3.84700
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Specification

This chemical is called Benzene, 1-methoxy-4-(1-phenylethyl)-, and its systematic name is 1-methoxy-4-(1-phenylethyl)benzene. With the molecular formula of C15H16O, its molecular weight is 212.29. The CAS registry number of this chemical is 2605-18-7.

Other characteristics of the Benzene, 1-methoxy-4-(1-phenylethyl)- can be summarised as followings: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.562; (4)ACD/LogD (pH 7.4): 4.562; (5)ACD/BCF (pH 5.5): 1724.866; (6)ACD/BCF (pH 7.4): 1724.866; (7)ACD/KOC (pH 5.5): 7218.831; (8)ACD/KOC (pH 7.4): 7218.831; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 66.881 cm3; (15)Molar Volume: 210.093 cm3; (16)Polarizability: 26.514×10-24cm3; (17)Surface Tension: 35.671 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 121.705 °C; (20)Enthalpy of Vaporization: 53.013 kJ/mol; (21)Boiling Point: 311.249 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(c1ccccc1)c2ccc(cc2)OC
2.InChI: InChI=1/C15H16O/c1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14/h3-12H,1-2H3
3.InChIKey: JMOKUPRAECXBIE-UHFFFAOYAK