1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol

C12H13Cl2N3O2 — CID 53378217

IUPAC1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol
SMILESOCCc1cn(CC(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-1-2-10(11(14)5-8)12(19)7-17-6-9(3-4-18)15-16-17/h1-2,5-6,12,18-19H,3-4,7H2
InChIKeySSLNCOSXMZNJIO-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.85
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol

1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol (PubChem CID 53378217) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol
PubChem CID53378217
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol
SMILESOCCc1cn(CC(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-1-2-10(11(14)5-8)12(19)7-17-6-9(3-4-18)15-16-17/h1-2,5-6,12,18-19H,3-4,7H2
InChIKeySSLNCOSXMZNJIO-UHFFFAOYSA-N
XLogP1.85
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol (CID 53378217) is 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol is OCCc1cn(CC(O)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol?
The InChIKey is SSLNCOSXMZNJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-8-1-2-10(11(14)5-8)12(19)7-17-6-9(3-4-18)15-16-17/h1-2,5-6,12,18-19H,3-4,7H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol?
1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol has a molecular weight of 302.16 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]ethanol is sourced from PubChem (CID 53378217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).