2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C14H17Cl2N3O — CID 53378216

IUPAC2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESCCCCc1cn(CC(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C14H17Cl2N3O/c1-2-3-4-11-8-19(18-17-11)9-14(20)12-6-5-10(15)7-13(12)16/h5-8,14,20H,2-4,9H2,1H3
InChIKeyDLUWCRYGJZTSCI-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.66
Rot. Bonds6

About 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 53378216) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID53378216
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESCCCCc1cn(CC(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C14H17Cl2N3O/c1-2-3-4-11-8-19(18-17-11)9-14(20)12-6-5-10(15)7-13(12)16/h5-8,14,20H,2-4,9H2,1H3
InChIKeyDLUWCRYGJZTSCI-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 53378216) is 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is CCCCc1cn(CC(O)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is DLUWCRYGJZTSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-2-3-4-11-8-19(18-17-11)9-14(20)12-6-5-10(15)7-13(12)16/h5-8,14,20H,2-4,9H2,1H3.
What are the key properties of 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 314.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 53378216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).