1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol

C12H13Cl2N3O2 — CID 81444223

IUPAC1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCOc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O2/c1-8(18)11-7-17(16-15-11)4-5-19-12-3-2-9(13)6-10(12)14/h2-3,6-8,18H,4-5H2,1H3
InChIKeyXCFTXWPFRFIPRQ-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.72
Rot. Bonds5

About 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol

1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol (PubChem CID 81444223) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol
PubChem CID81444223
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCOc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O2/c1-8(18)11-7-17(16-15-11)4-5-19-12-3-2-9(13)6-10(12)14/h2-3,6-8,18H,4-5H2,1H3
InChIKeyXCFTXWPFRFIPRQ-UHFFFAOYSA-N
XLogP2.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229546
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 114858230
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
CID 106456459
1-[2-(2,4-dichlorophenoxy)ethyl]-5-propan-2-yltriazol-4-amine
CID 79542744
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-(bromomethyl)triazole
CID 62399543
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
N-[[1-[2-(2-chloro-4-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62672051
1-[2-(4-chloro-2-methylphenoxy)ethyl]triazole-4-carboxylic acid
CID 29082352
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229422
4-(1-bromoethyl)-1-[2-(2,6-dichlorophenoxy)ethyl]triazole
CID 81449598

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol (CID 81444223) is 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol is CC(O)c1cn(CCOc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol?
The InChIKey is XCFTXWPFRFIPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-8(18)11-7-17(16-15-11)4-5-19-12-3-2-9(13)6-10(12)14/h2-3,6-8,18H,4-5H2,1H3.
What are the key properties of 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol?
1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol has a molecular weight of 302.16 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81444223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).