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CAS No.: | 7380-78-1 |
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Name: | 1-METHOXY-4-PHENYLETHYNYL-BENZENE |
Article Data: | 465 |
Molecular Structure: | |
Formula: | C15H12O |
Molecular Weight: | 208.26 |
Synonyms: | Anisole, p-(phenylethynyl)- (6CI,7CI,8CI);;Benzene, 1-methoxy-4-(phenylethynyl)- (9CI);1-[2-(4-Methoxyphenyl)ethynyl]benzene;4-(Phenylethynyl)anisole;4-Methoxydiphenylacetylene;4-Methoxytolan;p-Anisyl phenylacetylene;p-Methoxydiphenylacetylene;p-Methoxytolan;1-(p-Anisyl)-2-phenylacetylene;1-(4-Methoxyphenyl)-2-phenylethyne;1-Phenyl-2-(4-methoxyphenyl)acetylene;(4-Methoxyphenyl)phenylethyne;(4-Methoxyphenyl)phenylacetylene; |
Density: | 1.103 g/cm3 |
Melting Point: | 95℃ |
Boiling Point: | 339.007 °C at 760 mmHg |
Flash Point: | 155.389 °C |
PSA: | 9.23000 |
LogP: | 3.09500 |
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The 1-Methoxy-4-(phenylethynyl)benzene, with the CAS registry number 7380-78-1, is also known as 1-(p-Anisyl)-2-phenylacetylene. This chemical's molecular formula is C15H12O and molecular weight is 208.26. What's more, its systematic name is 1-Methoxy-4-(phenylethynyl)benzene.
Physical properties of 1-Methoxy-4-(phenylethynyl)benzene are: (1)ACD/LogP: 4.695; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.70; (4)ACD/LogD (pH 7.4): 4.70; (5)ACD/BCF (pH 5.5): 2180.12; (6)ACD/BCF (pH 7.4): 2180.12; (7)ACD/KOC (pH 5.5): 8536.50; (8)ACD/KOC (pH 7.4): 8536.50; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 65.099 cm3; (15)Molar Volume: 188.798 cm3; (16)Polarizability: 25.807×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 155.389 °C; (20)Enthalpy of Vaporization: 55.935 kJ/mol; (21)Boiling Point: 339.007 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#Cc1ccccc1)c2ccc(OC)cc2
(2)Std. InChI: InChI=1S/C15H12O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3
(3)Std. InChIKey: BXXYBNVPUWTQFR-UHFFFAOYSA-N