3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole

C62H64Cl4N4O3 — CID 159160969

About 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole

3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole (PubChem CID 159160969) has the molecular formula C62H64Cl4N4O3 and a molecular weight of 1055.03 g/mol. Its IUPAC name is 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole.

Molecular Properties

• Compound Name: 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole
• PubChem CID: 159160969
• Molecular Formula: C62H64Cl4N4O3
• Molecular Weight: 1055.03 g/mol
• Exact Mass: 1052.37
• IUPAC Name: 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole
• SMILES: C.Cc1ccc(-c2[nH]c3ccc(C)cc3c2Cl)cc1.Cc1ccc(-c2cc3cc(C)ccc3[nH]2)cc1.ClCCl.Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1
• InChI: InChI=1S/C28H29ClN2O3.C16H14ClN.C16H15N.CH2Cl2.CH4/c29-27-25-18-23(33)10-13-26(25)31(28(27)21-6-8-22(32)9-7-21)19-20-4-11-24(12-5-20)34-17-16-30-14-2-1-3-15-30;1-10-3-6-12(7-4-10)16-15(17)13-9-11(2)5-8-14(13)18-16;1-11-3-6-13(7-4-11)16-10-14-9-12(2)5-8-15(14)17-16;2-1-3;/h4-13,18,32-33H,1-3,14-17,19H2;3-9,18H,1-2H3;3-10,17H,1-2H3;1H2;1H4
• InChIKey: KKMBUSYMKAQNKU-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 89.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.03
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole?

The IUPAC name of 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole (CID 159160969) is 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole.

What is the SMILES notation for 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole?

The canonical SMILES for 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole is C.Cc1ccc(-c2[nH]c3ccc(C)cc3c2Cl)cc1.Cc1ccc(-c2cc3cc(C)ccc3[nH]2)cc1.ClCCl.Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1.

What is the InChIKey of 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole?

The InChIKey is KKMBUSYMKAQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O3.C16H14ClN.C16H15N.CH2Cl2.CH4/c29-27-25-18-23(33)10-13-26(25)31(28(27)21-6-8-22(32)9-7-21)19-20-4-11-24(12-5-20)34-17-16-30-14-2-1-3-15-30;1-10-3-6-12(7-4-10)16-15(17)13-9-11(2)5-8-14(13)18-16;1-11-3-6-13(7-4-11)16-10-14-9-12(2)5-8-15(14)17-16;2-1-3;/h4-13,18,32-33H,1-3,14-17,19H2;3-9,18H,1-2H3;3-10,17H,1-2H3;1H2;1H4.

What are the key properties of 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole?

3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole has a molecular weight of 1055.03 g/mol, XLogP of 17.90, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-(4-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;3-chloro-5-methyl-2-(4-methylphenyl)-1H-indole;dichloromethane;methane;5-methyl-2-(4-methylphenyl)-1H-indole is sourced from PubChem (CID 159160969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).