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101782-20-1

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Basic Information
CAS No.: 101782-20-1
Name: ETHYL 1-CYCLOHEXYL-5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLATE
Article Data: 4
Molecular Structure:
Molecular Structure of 101782-20-1 (ETHYL 1-CYCLOHEXYL-5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLATE)
Formula: C18H23NO3
Molecular Weight: 301.386
Synonyms: Indole-3-carboxylicacid,1-cyclohexyl-5-hydroxy-2-methyl-,ethyl ester (6CI);Ethyl 1-cyclohexyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate;
Density: 1.22 g/cm3
Boiling Point: 478.9 °C at 760 mmHg
Flash Point: 243.4 °C
PSA: 51.46000
LogP: 4.33720
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Specification

The 1H-Indole-3-carboxylicacid, 1-cyclohexyl-5-hydroxy-2-methyl-, ethyl ester, with the CAS registry number 101782-20-1, is also known as Ethyl 1-cyclohexyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate. This chemical's molecular formula is C18H23NO3 and molecular weight is 301.3801. What's more, its systematic name is Ethyl 1-cyclohexyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate.

Physical properties about 1H-Indole-3-carboxylicacid, 1-cyclohexyl-5-hydroxy-2-methyl-,ethyl ester are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.83; (5)ACD/BCF (pH 5.5): 2770.01; (6)ACD/BCF (pH 7.4): 2731.05; (7)ACD/KOC (pH 5.5): 10132.12; (8)ACD/KOC (pH 7.4): 9989.62; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 84.53 cm3; (15)Molar Volume: 246.9 cm3; (16)Polarizability: 33.51×10-24 cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 243.4 °C; (20)Enthalpy of Vaporization: 77.14 kJ/mol; (21)Boiling Point: 478.9 °C at 760 mmHg; (22)Vapour Pressure: 8.55E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c2c1cc(O)ccc1n(c2C)C3CCCCC3
(2) InChI: InChI=1/C18H23NO3/c1-3-22-18(21)17-12(2)19(13-7-5-4-6-8-13)16-10-9-14(20)11-15(16)17/h9-11,13,20H,3-8H2,1-2H3
(3) InChIKey: CXEMQLWMAUFGHN-UHFFFAOYAE