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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Related Compounds

1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70447957
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
(3S)-1-(4-chlorophenyl)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CID 70427162
1-(4-chlorophenyl)-1-(1-phenylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 68954467
1-(4-chlorophenyl)-2,2,4-trimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CID 14620416
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13236903
1-(4-chlorophenyl)-1-[1-(hydroxymethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 14994823
CID 19086797
CID 19086797
3-[(4-chlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54527494
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanamide
CID 19956965

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).