2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol

C14H9Cl2N3O — CID 135987653

IUPAC2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H9Cl2N3O/c15-9-6-10(12(20)11(16)7-9)14-17-13(18-19-14)8-4-2-1-3-5-8/h1-7,20H,(H,17,18,19)
InChIKeyKFLWNXDXVZHJCQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.15
Rot. Bonds2

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

2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol (PubChem CID 135987653) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
PubChem CID135987653
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
SMILESOc1c(Cl)cc(Cl)cc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H9Cl2N3O/c15-9-6-10(12(20)11(16)7-9)14-17-13(18-19-14)8-4-2-1-3-5-8/h1-7,20H,(H,17,18,19)
InChIKeyKFLWNXDXVZHJCQ-UHFFFAOYSA-N
XLogP4.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The IUPAC name of 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol (CID 135987653) is 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The canonical SMILES for 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol is Oc1c(Cl)cc(Cl)cc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
The InChIKey is KFLWNXDXVZHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-6-10(12(20)11(16)7-9)14-17-13(18-19-14)8-4-2-1-3-5-8/h1-7,20H,(H,17,18,19).
What are the key properties of 2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol?
2,4-dichloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol has a molecular weight of 306.15 g/mol, XLogP of 4.15, 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-phenyl-1H-1,2,4-triazol-5-yl)phenol is sourced from PubChem (CID 135987653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).