2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol

C14H8Cl3N3O — CID 135492508

IUPAC2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1nc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H8Cl3N3O/c15-8-3-1-7(2-4-8)13-18-14(20-19-13)10-5-9(16)6-11(17)12(10)21/h1-6,21H,(H,18,19,20)
InChIKeyJRDFYKFOJOOTLZ-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.80
Rot. Bonds2

About 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol

2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 135492508) has the molecular formula C14H8Cl3N3O and a molecular weight of 340.60 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
PubChem CID135492508
Molecular FormulaC14H8Cl3N3O
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1nc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H8Cl3N3O/c15-8-3-1-7(2-4-8)13-18-14(20-19-13)10-5-9(16)6-11(17)12(10)21/h1-6,21H,(H,18,19,20)
InChIKeyJRDFYKFOJOOTLZ-UHFFFAOYSA-N
XLogP4.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol with MolForge

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Related Compounds

(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
4-chloro-2-(1H-[1,2,4]triazol-3-yl)-phenol
CID 136163388
4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 135449099
4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 155527131
4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
CID 155554294
2-{3-[(E)-2-(2-chlorophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5293994
4-chloro-2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135400975
2,4-dichloro-6-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135433948
2,4-dichloro-6-[3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135987639
2,4-ditert-butyl-6-[3-(3,4-dichlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135987640
2,4-dichloro-6-[3-(3,4-dichlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135987646

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol (CID 135492508) is 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol is Oc1c(Cl)cc(Cl)cc1-c1nc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is JRDFYKFOJOOTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O/c15-8-3-1-7(2-4-8)13-18-14(20-19-13)10-5-9(16)6-11(17)12(10)21/h1-6,21H,(H,18,19,20).
What are the key properties of 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 340.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 135492508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).