2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

C11H11Cl2N3O2 — CID 13305463

IUPAC2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2
InChIKeyVYYGZEDTRYICOV-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.47
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (PubChem CID 13305463) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
PubChem CID13305463
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2
InChIKeyVYYGZEDTRYICOV-UHFFFAOYSA-N
XLogP1.47
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 71322817
1-azido-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 14706518
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]methanesulfonamide
CID 18957987
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]ethanesulfonamide
CID 18958000
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
bis(N-acetyl-3-(2,4-dichlorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide);hydrate
CID 70425533
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 18957976
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 67832646
(2R,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 139826164
(2R,3S)-2-(2,4-dichlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,4-diol
CID 57249009
2-(2,4-dichlorophenyl)-2-hydroxy-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pentan-3-one
CID 3007572

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (CID 13305463) is 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is OCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The InChIKey is VYYGZEDTRYICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol has a molecular weight of 288.13 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 13305463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).