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Name |
Phenol, 4-(2,5-dimethyl-1H-pyrrol-1-yl)- |
EINECS | N/A |
CAS No. | 54609-09-5 | Density | 1.06 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H13NO | Boiling Point | 334.8 °C at 760 mmHg |
Molecular Weight | 187.241 | Flash Point | 156.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol;1-(4-Hydroxyphenyl)-2,5-dimethylpyrrole;Phenol, p-(2,5-dimethylpyrrol-1-yl)- (7CI); |
The Phenol, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-, with the CAS registry number 54609-09-5, is also known as 1-(4-Hydroxyphenyl)-2,5-dimethylpyrrole. This chemical's molecular formula is C12H13NO and molecular weight is 187.24. What's more, its systematic name is 4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol.
Physical properties of Phenol, 4-(2,5-dimethyl-1H-pyrrol-1-yl)- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 177.99; (6)ACD/BCF (pH 7.4): 174.34; (7)ACD/KOC (pH 5.5): 1420.39; (8)ACD/KOC (pH 7.4): 1391.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 57.18 cm3; (15)Molar Volume: 175 cm3; (16)Polarizability: 22.67×10-24 cm3; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 156.3 °C; (20)Enthalpy of Vaporization: 60.07 kJ/mol; (21)Boiling Point: 334.8 °C at 760 mmHg; (22)Vapour Pressure: 6.42E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)n2c(ccc2C)C
(2)InChI: InChI=1/C12H13NO/c1-9-3-4-10(2)13(9)11-5-7-12(14)8-6-11/h3-8,14H,1-2H3
(3)InChIKey: GQGLLBKGZRMFGZ-UHFFFAOYSA-N