4-(5-methyl-4-phenyltriazol-1-yl)phenol

C15H13N3O — CID 13031173

IUPAC4-(5-methyl-4-phenyltriazol-1-yl)phenol
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(O)cc1
InChIInChI=1S/C15H13N3O/c1-11-15(12-5-3-2-4-6-12)16-17-18(11)13-7-9-14(19)10-8-13/h2-10,19H,1H3
InChIKeyFBNCSVYGEFPMND-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.95
Rot. Bonds2

About 4-(5-methyl-4-phenyltriazol-1-yl)phenol

4-(5-methyl-4-phenyltriazol-1-yl)phenol (PubChem CID 13031173) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(5-methyl-4-phenyltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(5-methyl-4-phenyltriazol-1-yl)phenol
PubChem CID13031173
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(5-methyl-4-phenyltriazol-1-yl)phenol
SMILESCc1c(-c2ccccc2)nnn1-c1ccc(O)cc1
InChIInChI=1S/C15H13N3O/c1-11-15(12-5-3-2-4-6-12)16-17-18(11)13-7-9-14(19)10-8-13/h2-10,19H,1H3
InChIKeyFBNCSVYGEFPMND-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
4-(4-Benzyltriazol-1-yl)phenol
CID 52947733
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
3-[4-(4-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]phenol
CID 44585931
4-[1-(4-Methoxyphenyl)-5-methyltriazol-4-yl]aniline
CID 118737673
4-(4-(Pyridin-3-yl)-1h-1,2,3-triazol-1-yl) phenol
CID 50908754
3-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-phenol
CID 44585930
4-[4-(4-Hydroxyphenyl)triazol-1-yl]-2-methylphenol
CID 145964203
2-Fluoro-4-[4-(3-hydroxyphenyl)triazol-1-yl]phenol
CID 145969849
1-(4-Methoxyphenyl)-5-methyl-4-phenyltriazole
CID 118737665
4-[4-(4-Fluorophenyl)triazol-1-yl]phenol
CID 122501195
4-[4-[2-(Trifluoromethyl)phenyl]triazol-1-yl]phenol
CID 122501631

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-phenyltriazol-1-yl)phenol?
The IUPAC name of 4-(5-methyl-4-phenyltriazol-1-yl)phenol (CID 13031173) is 4-(5-methyl-4-phenyltriazol-1-yl)phenol.
What is the SMILES notation for 4-(5-methyl-4-phenyltriazol-1-yl)phenol?
The canonical SMILES for 4-(5-methyl-4-phenyltriazol-1-yl)phenol is Cc1c(-c2ccccc2)nnn1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-methyl-4-phenyltriazol-1-yl)phenol?
The InChIKey is FBNCSVYGEFPMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-15(12-5-3-2-4-6-12)16-17-18(11)13-7-9-14(19)10-8-13/h2-10,19H,1H3.
What are the key properties of 4-(5-methyl-4-phenyltriazol-1-yl)phenol?
4-(5-methyl-4-phenyltriazol-1-yl)phenol has a molecular weight of 251.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-phenyltriazol-1-yl)phenol is sourced from PubChem (CID 13031173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).