3-(3-phenyl-1,2,4-triazol-1-yl)phenol

C14H11N3O — CID 146226315

IUPAC3-(3-phenyl-1,2,4-triazol-1-yl)phenol
SMILESOc1cccc(-n2cnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H11N3O/c18-13-8-4-7-12(9-13)17-10-15-14(16-17)11-5-2-1-3-6-11/h1-10,18H
InChIKeyGMBSSHVXYWGHTQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.64
Rot. Bonds2

About 3-(3-phenyl-1,2,4-triazol-1-yl)phenol

3-(3-phenyl-1,2,4-triazol-1-yl)phenol (PubChem CID 146226315) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-triazol-1-yl)phenol
PubChem CID146226315
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-(3-phenyl-1,2,4-triazol-1-yl)phenol
SMILESOc1cccc(-n2cnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H11N3O/c18-13-8-4-7-12(9-13)17-10-15-14(16-17)11-5-2-1-3-6-11/h1-10,18H
InChIKeyGMBSSHVXYWGHTQ-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-triazol-1-yl)phenol?
The IUPAC name of 3-(3-phenyl-1,2,4-triazol-1-yl)phenol (CID 146226315) is 3-(3-phenyl-1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 3-(3-phenyl-1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 3-(3-phenyl-1,2,4-triazol-1-yl)phenol is Oc1cccc(-n2cnc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(3-phenyl-1,2,4-triazol-1-yl)phenol?
The InChIKey is GMBSSHVXYWGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-13-8-4-7-12(9-13)17-10-15-14(16-17)11-5-2-1-3-6-11/h1-10,18H.
What are the key properties of 3-(3-phenyl-1,2,4-triazol-1-yl)phenol?
3-(3-phenyl-1,2,4-triazol-1-yl)phenol has a molecular weight of 237.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 146226315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).