2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol

C19H19ClN2O — CID 122367996

IUPAC2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
SMILESOCCN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-14-7-5-13(6-8-14)19-18-16(9-10-22(19)11-12-23)15-3-1-2-4-17(15)21-18/h1-8,19,21,23H,9-12H2/t19-/m1/s1
InChIKeyKJENGQHGPDRMLH-LJQANCHMSA-N
MW326.83 g/mol
LogP3.76
Rot. Bonds3

About 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol

2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol (PubChem CID 122367996) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
PubChem CID122367996
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
SMILESOCCN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c20-14-7-5-13(6-8-14)19-18-16(9-10-22(19)11-12-23)15-3-1-2-4-17(15)21-18/h1-8,19,21,23H,9-12H2/t19-/m1/s1
InChIKeyKJENGQHGPDRMLH-LJQANCHMSA-N
XLogP3.76
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 5213345
[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-cyclobutylmethanone
CID 46359958
1-(4-methoxyphenyl)-2-tetradecyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 167142756
1-[(1S)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-phenoxyethanone
CID 92730578
(3S)-3-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1-methylpyrrolidine-2,5-dione
CID 124774247
[(1S)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,4-dichlorophenyl)methanone
CID 7037538
(1S)-1-(4-fluoro-3-methoxyphenyl)-2-(4,4,4-trifluorobutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 25460567
2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884
N-[4-(2-but-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)phenyl]azetidin-3-amine
CID 164561517
[(1S)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methoxyphenyl)methanone
CID 1240692
[(1S)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-nitrophenyl)methanone
CID 1253612
[5-[[1-(4-ethylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-yl]methanol
CID 45223486

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
The IUPAC name of 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol (CID 122367996) is 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol.
What is the SMILES notation for 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
The canonical SMILES for 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol is OCCN1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
The InChIKey is KJENGQHGPDRMLH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-14-7-5-13(6-8-14)19-18-16(9-10-22(19)11-12-23)15-3-1-2-4-17(15)21-18/h1-8,19,21,23H,9-12H2/t19-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol has a molecular weight of 326.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol is sourced from PubChem (CID 122367996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).