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

C20H15N3O — CID 11645313

IUPAC3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESOc1cccc(-n2cnnc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H15N3O/c24-19-8-4-7-18(13-19)23-14-21-22-20(23)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,24H
InChIKeyMENDTFDIUWAVMQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.31
Rot. Bonds3

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

3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol (PubChem CID 11645313) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
PubChem CID11645313
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol
SMILESOc1cccc(-n2cnnc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H15N3O/c24-19-8-4-7-18(13-19)23-14-21-22-20(23)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,24H
InChIKeyMENDTFDIUWAVMQ-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The IUPAC name of 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol (CID 11645313) is 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol.
What is the SMILES notation for 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The canonical SMILES for 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol is Oc1cccc(-n2cnnc2-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
The InChIKey is MENDTFDIUWAVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-19-8-4-7-18(13-19)23-14-21-22-20(23)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,24H.
What are the key properties of 3-[3-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol?
3-[3-(4-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-(4-phenylphenyl)-1,2,4-triazol-4-yl]phenol is sourced from PubChem (CID 11645313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).