2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol

C10H8Cl3N3O — CID 62401649

IUPAC2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H8Cl3N3O/c11-6-3-8(12)10(9(13)4-6)16-5-7(1-2-17)14-15-16/h3-5,17H,1-2H2
InChIKeyUPCBEZQETDOPKP-UHFFFAOYSA-N
MW292.55 g/mol
LogP2.76
Rot. Bonds3

About 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol

2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol (PubChem CID 62401649) has the molecular formula C10H8Cl3N3O and a molecular weight of 292.55 g/mol. Its IUPAC name is 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
PubChem CID62401649
Molecular FormulaC10H8Cl3N3O
Molecular Weight292.55 g/mol
Exact Mass290.97
IUPAC Name2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1
InChIInChI=1S/C10H8Cl3N3O/c11-6-3-8(12)10(9(13)4-6)16-5-7(1-2-17)14-15-16/h3-5,17H,1-2H2
InChIKeyUPCBEZQETDOPKP-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
CID 114209227
[1-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]methanol
CID 62401832
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778386
3-[1-(2,4-dichloro-6-nitrophenyl)triazol-4-yl]propanoic acid
CID 107460478
1-(4-bromo-2,6-dichlorophenyl)-4-(chloromethyl)triazole
CID 62399680
[1-(2,4-dichloro-6-nitrophenyl)triazol-4-yl]methanamine
CID 62056002
2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde
CID 142690785
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
3-[1-(3,5-dichlorophenyl)triazol-4-yl]propanoic acid
CID 82369407
2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
CID 107794056
2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol
CID 59526244
4-(1-chloroethyl)-1-(2,4,6-trichlorophenyl)triazole
CID 81449128

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol (CID 62401649) is 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol is OCCc1cn(-c2c(Cl)cc(Cl)cc2Cl)nn1.
What is the InChIKey of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
The InChIKey is UPCBEZQETDOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O/c11-6-3-8(12)10(9(13)4-6)16-5-7(1-2-17)14-15-16/h3-5,17H,1-2H2.
What are the key properties of 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol?
2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol has a molecular weight of 292.55 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 62401649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).