(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C21H25NO — CID 53311038

IUPAC(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESON1C(c2ccccc2)CC(c2ccccc2)[C@H]2CCCC[C@@H]21
InChIInChI=1S/C21H25NO/c23-22-20-14-8-7-13-18(20)19(16-9-3-1-4-10-16)15-21(22)17-11-5-2-6-12-17/h1-6,9-12,18-21,23H,7-8,13-15H2/t18-,19?,20+,21?/m1/s1
InChIKeyPQHQNTYSRLZOMF-OSIBBQKWSA-N
MW307.44 g/mol
LogP5.17
Rot. Bonds2

About (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 53311038) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID53311038
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESON1C(c2ccccc2)CC(c2ccccc2)[C@H]2CCCC[C@@H]21
InChIInChI=1S/C21H25NO/c23-22-20-14-8-7-13-18(20)19(16-9-3-1-4-10-16)15-21(22)17-11-5-2-6-12-17/h1-6,9-12,18-21,23H,7-8,13-15H2/t18-,19?,20+,21?/m1/s1
InChIKeyPQHQNTYSRLZOMF-OSIBBQKWSA-N
XLogP5.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

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Related Compounds

2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
CID 11121219
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 70581540
2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914120
3,5-diphenylthiolan-2-ol
CID 144931057
(3-phenyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(thian-4-yl)methanone
CID 166224667
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol
CID 98695596
N-methyl-1-[2-(2-phenylcyclopropyl)cyclohexyl]methanamine
CID 116518650
8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene
CID 140590307
6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 73299099
2-phenyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-amine
CID 167142843

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 53311038) is (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is ON1C(c2ccccc2)CC(c2ccccc2)[C@H]2CCCC[C@@H]21.
What is the InChIKey of (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is PQHQNTYSRLZOMF-OSIBBQKWSA-N. The full InChI is InChI=1S/C21H25NO/c23-22-20-14-8-7-13-18(20)19(16-9-3-1-4-10-16)15-21(22)17-11-5-2-6-12-17/h1-6,9-12,18-21,23H,7-8,13-15H2/t18-,19?,20+,21?/m1/s1.
What are the key properties of (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 307.44 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 53311038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).