4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol

C21H15Cl2N3O2 — CID 142961507

IUPAC4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(-n2c(-c3ccc(O)cc3)nnc2-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C21H15Cl2N3O2/c1-28-17-9-5-15(6-10-17)26-20(13-2-7-16(27)8-3-13)24-25-21(26)18-12-14(22)4-11-19(18)23/h2-12,27H,1H3
InChIKeyWFQIKGAJWNUGPP-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.62
Rot. Bonds4

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

4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol (PubChem CID 142961507) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
PubChem CID142961507
Molecular FormulaC21H15Cl2N3O2
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(-n2c(-c3ccc(O)cc3)nnc2-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C21H15Cl2N3O2/c1-28-17-9-5-15(6-10-17)26-20(13-2-7-16(27)8-3-13)24-25-21(26)18-12-14(22)4-11-19(18)23/h2-12,27H,1H3
InChIKeyWFQIKGAJWNUGPP-UHFFFAOYSA-N
XLogP5.62
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole
CID 3896541
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
2-[[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
CID 3324144
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 986886
4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
CID 70332319
2-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 980512
N-(4-hydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27918995
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 78763487
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
1-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2047966
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 1298709
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol (CID 142961507) is 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol is COc1ccc(-n2c(-c3ccc(O)cc3)nnc2-c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is WFQIKGAJWNUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c1-28-17-9-5-15(6-10-17)26-20(13-2-7-16(27)8-3-13)24-25-21(26)18-12-14(22)4-11-19(18)23/h2-12,27H,1H3.
What are the key properties of 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol?
4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 412.28 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 142961507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).