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

C15H11Cl2N3O2 — CID 135987652

IUPAC2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(-c3cc(Cl)cc(Cl)c3O)n2)cc1
InChIInChI=1S/C15H11Cl2N3O2/c1-22-10-4-2-8(3-5-10)14-18-15(20-19-14)11-6-9(16)7-12(17)13(11)21/h2-7,21H,1H3,(H,18,19,20)
InChIKeyWRXXYOFMOSPORY-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.16
Rot. Bonds3

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

2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 135987652) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
PubChem CID135987652
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(-c3cc(Cl)cc(Cl)c3O)n2)cc1
InChIInChI=1S/C15H11Cl2N3O2/c1-22-10-4-2-8(3-5-10)14-18-15(20-19-14)11-6-9(16)7-12(17)13(11)21/h2-7,21H,1H3,(H,18,19,20)
InChIKeyWRXXYOFMOSPORY-UHFFFAOYSA-N
XLogP4.16
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol (CID 135987652) is 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol is COc1ccc(-c2n[nH]c(-c3cc(Cl)cc(Cl)c3O)n2)cc1.
What is the InChIKey of 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is WRXXYOFMOSPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-22-10-4-2-8(3-5-10)14-18-15(20-19-14)11-6-9(16)7-12(17)13(11)21/h2-7,21H,1H3,(H,18,19,20).
What are the key properties of 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 336.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 135987652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).