4-[4-(4-ethylphenyl)triazol-1-yl]phenol

C16H15N3O — CID 122501193

IUPAC4-[4-(4-ethylphenyl)triazol-1-yl]phenol
SMILESCCc1ccc(-c2cn(-c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-2-12-3-5-13(6-4-12)16-11-19(18-17-16)14-7-9-15(20)10-8-14/h3-11,20H,2H2,1H3
InChIKeyJAOJNLFVYVMWEP-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.20
Rot. Bonds3

About 4-[4-(4-ethylphenyl)triazol-1-yl]phenol

4-[4-(4-ethylphenyl)triazol-1-yl]phenol (PubChem CID 122501193) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[4-(4-ethylphenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-ethylphenyl)triazol-1-yl]phenol
PubChem CID122501193
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[4-(4-ethylphenyl)triazol-1-yl]phenol
SMILESCCc1ccc(-c2cn(-c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O/c1-2-12-3-5-13(6-4-12)16-11-19(18-17-16)14-7-9-15(20)10-8-14/h3-11,20H,2H2,1H3
InChIKeyJAOJNLFVYVMWEP-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylphenyl)triazol-1-yl]phenol?
The IUPAC name of 4-[4-(4-ethylphenyl)triazol-1-yl]phenol (CID 122501193) is 4-[4-(4-ethylphenyl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[4-(4-ethylphenyl)triazol-1-yl]phenol?
The canonical SMILES for 4-[4-(4-ethylphenyl)triazol-1-yl]phenol is CCc1ccc(-c2cn(-c3ccc(O)cc3)nn2)cc1.
What is the InChIKey of 4-[4-(4-ethylphenyl)triazol-1-yl]phenol?
The InChIKey is JAOJNLFVYVMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-12-3-5-13(6-4-12)16-11-19(18-17-16)14-7-9-15(20)10-8-14/h3-11,20H,2H2,1H3.
What are the key properties of 4-[4-(4-ethylphenyl)triazol-1-yl]phenol?
4-[4-(4-ethylphenyl)triazol-1-yl]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylphenyl)triazol-1-yl]phenol is sourced from PubChem (CID 122501193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).