2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol

C23H29NO — CID 11121219

IUPAC2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
SMILESOCCN1C(c2ccccc2)CC(c2ccccc2)C2CCCCC21
InChIInChI=1S/C23H29NO/c25-16-15-24-22-14-8-7-13-20(22)21(18-9-3-1-4-10-18)17-23(24)19-11-5-2-6-12-19/h1-6,9-12,20-23,25H,7-8,13-17H2
InChIKeySPJADVQAMVVVGW-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.77
Rot. Bonds4

About 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol

2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol (PubChem CID 11121219) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
PubChem CID11121219
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
SMILESOCCN1C(c2ccccc2)CC(c2ccccc2)C2CCCCC21
InChIInChI=1S/C23H29NO/c25-16-15-24-22-14-8-7-13-20(22)21(18-9-3-1-4-10-18)17-23(24)19-11-5-2-6-12-19/h1-6,9-12,20-23,25H,7-8,13-17H2
InChIKeySPJADVQAMVVVGW-UHFFFAOYSA-N
XLogP4.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol with MolForge

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Related Compounds

(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 53311038
2-[(2R,4S,6R)-2-methyl-4,6-diphenylpiperidin-1-yl]ethanol
CID 11392285
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
1-[(2S,3aR,8aS)-4-(2-hydroxyethyl)-2-phenyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110137379
9-benzyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 102364241
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
(4S)-3-(2-hydroxyethyl)-4-phenyl-1,3-thiazolidine-2-thione
CID 56935285
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene
CID 140590307
N-methyl-1-[2-(2-phenylcyclopropyl)cyclohexyl]methanamine
CID 116518650
2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol
CID 129498083
[4-(2-hydroxyethyl)piperazin-1-yl]-[(1S,3S,8R)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanone
CID 118789504

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
The IUPAC name of 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol (CID 11121219) is 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol.
What is the SMILES notation for 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
The canonical SMILES for 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol is OCCN1C(c2ccccc2)CC(c2ccccc2)C2CCCCC21.
What is the InChIKey of 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
The InChIKey is SPJADVQAMVVVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c25-16-15-24-22-14-8-7-13-20(22)21(18-9-3-1-4-10-18)17-23(24)19-11-5-2-6-12-19/h1-6,9-12,20-23,25H,7-8,13-17H2.
What are the key properties of 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol?
2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol has a molecular weight of 335.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol is sourced from PubChem (CID 11121219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).