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

C11H11Cl2N3O — CID 15036415

IUPAC2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-9-1-2-10(11(13)3-9)8(5-17)4-16-7-14-6-15-16/h1-3,6-8,17H,4-5H2
InChIKeyQMUIPLNEIWEBJS-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.36
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol (PubChem CID 15036415) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol
PubChem CID15036415
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol
SMILESOCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O/c12-9-1-2-10(11(13)3-9)8(5-17)4-16-7-14-6-15-16/h1-3,6-8,17H,4-5H2
InChIKeyQMUIPLNEIWEBJS-UHFFFAOYSA-N
XLogP2.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol (CID 15036415) is 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol is OCC(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
The InChIKey is QMUIPLNEIWEBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-9-1-2-10(11(13)3-9)8(5-17)4-16-7-14-6-15-16/h1-3,6-8,17H,4-5H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol?
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol has a molecular weight of 272.13 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-1-ol is sourced from PubChem (CID 15036415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).