1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C23H20ClN3O — CID 22905746

IUPAC1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c24-22-12-6-18(7-13-22)14-23(28,15-27-17-25-16-26-27)21-10-8-20(9-11-21)19-4-2-1-3-5-19/h1-13,16-17,28H,14-15H2
InChIKeyXKSIZEKYPGPNCI-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.73
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 22905746) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID22905746
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c24-22-12-6-18(7-13-22)14-23(28,15-27-17-25-16-26-27)21-10-8-20(9-11-21)19-4-2-1-3-5-19/h1-13,16-17,28H,14-15H2
InChIKeyXKSIZEKYPGPNCI-UHFFFAOYSA-N
XLogP4.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 22905746) is 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cc1ccc(Cl)cc1)(Cn1cncn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is XKSIZEKYPGPNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c24-22-12-6-18(7-13-22)14-23(28,15-27-17-25-16-26-27)21-10-8-20(9-11-21)19-4-2-1-3-5-19/h1-13,16-17,28H,14-15H2.
What are the key properties of 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 389.89 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 22905746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).