3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol

C15H13N3O — CID 175848836

IUPAC3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol
SMILESCc1cccc(O)c1-c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H13N3O/c1-10-6-5-9-12(19)13(10)15-14(16-18-17-15)11-7-3-2-4-8-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyAEOKOTYWKVBWEJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.15
Rot. Bonds2

About 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol

3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol (PubChem CID 175848836) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol.

Molecular Properties

Compound Name3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol
PubChem CID175848836
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol
SMILESCc1cccc(O)c1-c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H13N3O/c1-10-6-5-9-12(19)13(10)15-14(16-18-17-15)11-7-3-2-4-8-11/h2-9,19H,1H3,(H,16,17,18)
InChIKeyAEOKOTYWKVBWEJ-UHFFFAOYSA-N
XLogP3.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol?
The IUPAC name of 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol (CID 175848836) is 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol.
What is the SMILES notation for 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol?
The canonical SMILES for 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol is Cc1cccc(O)c1-c1n[nH]nc1-c1ccccc1.
What is the InChIKey of 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol?
The InChIKey is AEOKOTYWKVBWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-5-9-12(19)13(10)15-14(16-18-17-15)11-7-3-2-4-8-11/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol?
3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol has a molecular weight of 251.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-phenyl-2H-triazol-4-yl)phenol is sourced from PubChem (CID 175848836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).