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

C19H19ClN2O — CID 122192181

IUPAC2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
SMILESOCCN1CCc2c([nH]c3ccccc23)C1c1ccc(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
InChIKeyKJENGQHGPDRMLH-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.76
Rot. Bonds3

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

2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol (PubChem CID 122192181) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
PubChem CID122192181
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
SMILESOCCN1CCc2c([nH]c3ccccc23)C1c1ccc(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
InChIKeyKJENGQHGPDRMLH-UHFFFAOYSA-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

2,3,4,9-Tetrahydro-1-(phenylmethyl)-1H-pyrido(3,4-b)indole
CID 71167
1-(3-Chloro-phenylamino)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol
CID 3103959
2-((6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino)ethanol
CID 2882155
1-benzhydryl-6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168280315
3-{[(1E)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]amino}propan-1-ol
CID 3815118
1-(chloromethyl)-4-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4692079
(R)-1-Phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 746501
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
CID 511482
1-(3,6-Dichlorocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802133
1-(3,6-Dichlorocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836155
1-(cyclohexylamino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2851036
1-(4-benzylpiperazin-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
CID 2852080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
The IUPAC name of 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol (CID 122192181) is 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol is OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
The InChIKey is KJENGQHGPDRMLH-UHFFFAOYSA-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.
What are the key properties of 2-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol?
2-[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-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol is sourced from PubChem (CID 122192181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).