2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol

C86H96Cl2F2N8O8 — CID 157205085

About 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol

2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol (PubChem CID 157205085) has the molecular formula C86H96Cl2F2N8O8 and a molecular weight of 1478.66 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol.

Molecular Properties

• Compound Name: 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol
• PubChem CID: 157205085
• Molecular Formula: C86H96Cl2F2N8O8
• Molecular Weight: 1478.66 g/mol
• Exact Mass: 1476.67
• IUPAC Name: 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol
• SMILES: COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1F.COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CCN(C)C3)cc1F.COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CCN(C)C3)cc1OC.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccc2)CN(C)CC1
• InChI: InChI=1S/C22H25ClN2O3.C22H25FN2O2.C21H22ClFN2O2.C21H24N2O/c1-24-9-8-16-17-11-15(23)5-6-18(17)25(19(16)12-24)13-20(26)14-4-7-21(27-2)22(10-14)28-3;1-14-4-6-19-17(10-14)16-8-9-24(2)12-20(16)25(19)13-21(26)15-5-7-22(27-3)18(23)11-15;1-24-8-7-15-16-10-14(22)4-5-18(16)25(19(15)11-24)12-20(26)13-3-6-21(27-2)17(23)9-13;1-15-8-9-19-18(12-15)17-10-11-22(2)13-20(17)23(19)14-21(24)16-6-4-3-5-7-16/h4-7,10-11,20,26H,8-9,12-13H2,1-3H3;4-7,10-11,21,26H,8-9,12-13H2,1-3H3;3-6,9-10,20,26H,7-8,11-12H2,1-2H3;3-9,12,21,24H,10-11,13-14H2,1-2H3
• InChIKey: ARGKMICWSZSIER-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 150.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.66
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol?

The IUPAC name of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol (CID 157205085) is 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol.

What is the SMILES notation for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol?

The canonical SMILES for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol is COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1F.COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CCN(C)C3)cc1F.COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CCN(C)C3)cc1OC.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccc2)CN(C)CC1.

What is the InChIKey of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol?

The InChIKey is ARGKMICWSZSIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3.C22H25FN2O2.C21H22ClFN2O2.C21H24N2O/c1-24-9-8-16-17-11-15(23)5-6-18(17)25(19(16)12-24)13-20(26)14-4-7-21(27-2)22(10-14)28-3;1-14-4-6-19-17(10-14)16-8-9-24(2)12-20(16)25(19)13-21(26)15-5-7-22(27-3)18(23)11-15;1-24-8-7-15-16-10-14(22)4-5-18(16)25(19(15)11-24)12-20(26)13-3-6-21(27-2)17(23)9-13;1-15-8-9-19-18(12-15)17-10-11-22(2)13-20(17)23(19)14-21(24)16-6-4-3-5-7-16/h4-7,10-11,20,26H,8-9,12-13H2,1-3H3;4-7,10-11,21,26H,8-9,12-13H2,1-3H3;3-6,9-10,20,26H,7-8,11-12H2,1-2H3;3-9,12,21,24H,10-11,13-14H2,1-2H3.

What are the key properties of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol?

2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol has a molecular weight of 1478.66 g/mol, XLogP of 15.69, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3,4-dimethoxyphenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-phenylethanol is sourced from PubChem (CID 157205085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).