2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol

C33H34Cl2N2O3 — CID 146679977

IUPAC2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(c2ccccc2OC)C(CN2CCN(c3cccc(Cl)c3)CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H34Cl2N2O3/c1-39-29-16-12-25(13-17-29)33(38,30-8-3-4-9-32(30)40-2)31(24-10-14-26(34)15-11-24)23-36-18-20-37(21-19-36)28-7-5-6-27(35)22-28/h3-17,22,31,38H,18-21,23H2,1-2H3
InChIKeyCSDOFDJGXCUYKT-UHFFFAOYSA-N
MW577.55 g/mol
LogP6.85
Rot. Bonds9

About 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol

2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 146679977) has the molecular formula C33H34Cl2N2O3 and a molecular weight of 577.55 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
PubChem CID146679977
Molecular FormulaC33H34Cl2N2O3
Molecular Weight577.55 g/mol
Exact Mass576.19
IUPAC Name2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)(c2ccccc2OC)C(CN2CCN(c3cccc(Cl)c3)CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H34Cl2N2O3/c1-39-29-16-12-25(13-17-29)33(38,30-8-3-4-9-32(30)40-2)31(24-10-14-26(34)15-11-24)23-36-18-20-37(21-19-36)28-7-5-6-27(35)22-28/h3-17,22,31,38H,18-21,23H2,1-2H3
InChIKeyCSDOFDJGXCUYKT-UHFFFAOYSA-N
XLogP6.85
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.55
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 23606863
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol
CID 10194338
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
CID 45106438
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 1325664
(1R,2S)-1-(2-methoxyphenyl)-1-[4-(3-methylbutoxy)phenyl]-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 34568197
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
CID 40696539

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol (CID 146679977) is 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)(c2ccccc2OC)C(CN2CCN(c3cccc(Cl)c3)CC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is CSDOFDJGXCUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2N2O3/c1-39-29-16-12-25(13-17-29)33(38,30-8-3-4-9-32(30)40-2)31(24-10-14-26(34)15-11-24)23-36-18-20-37(21-19-36)28-7-5-6-27(35)22-28/h3-17,22,31,38H,18-21,23H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol?
2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 577.55 g/mol, XLogP of 6.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 146679977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).