3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol

C20H15N3O — CID 11580459

IUPAC3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESOc1cccc(-n2cnnc2-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
InChIKeyXGXZTGGFJHBJDN-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.31
Rot. Bonds3

About 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol

3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol (PubChem CID 11580459) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
PubChem CID11580459
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESOc1cccc(-n2cnnc2-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
InChIKeyXGXZTGGFJHBJDN-UHFFFAOYSA-N
XLogP4.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
CID 443276
1-{3-[3-(Tert-butyl) phenyl]-(1,2,4-triazol-4-yl)}-3-phenol
CID 10214859
3-[3-(4-Tert-butylphenyl)-5-(dimethylamino)-1,2,4-triazol-4-yl]phenol
CID 10308746
2-(3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)phenol
CID 10958392
3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 11957735
3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 46226512
1-[3-(4-Biphenyl)-(1,2,4-triazol-4-yl)]-3-phenol
CID 11645313
3-[3-(Dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11537712
3-(3-(4-tert-butylphenyl)-5-((dimethylamino)methyl)-4H-1,2,4-triazol-4-yl)phenol
CID 11544824
3-[3-(Dimethylamino)-5-naphthalen-2-yl-1,2,4-triazol-4-yl]phenol
CID 11558993
3-[3-(Dimethylamino)-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11602862
3-[3-(4-Tert-butylphenyl)-5-[2-(dimethylamino)ethyl]-1,2,4-triazol-4-yl]phenol
CID 11717551

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The IUPAC name of 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol (CID 11580459) is 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol.
What is the SMILES notation for 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The canonical SMILES for 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol is Oc1cccc(-n2cnnc2-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The InChIKey is XGXZTGGFJHBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H.
What are the key properties of 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol has a molecular weight of 313.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol is sourced from PubChem (CID 11580459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).