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

C17H17N3O — CID 118732536

IUPAC2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-17(21,11-20-13-18-12-19-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,12-13,21H,11H2,1H3
InChIKeyYXLIEYSFVSCWQA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds4

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

2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 118732536) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID118732536
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-17(21,11-20-13-18-12-19-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,12-13,21H,11H2,1H3
InChIKeyYXLIEYSFVSCWQA-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol (CID 118732536) is 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol is CC(O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is YXLIEYSFVSCWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-17(21,11-20-13-18-12-19-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,12-13,21H,11H2,1H3.
What are the key properties of 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 279.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 118732536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).