2-[(4-phenyltriazol-1-yl)methyl]phenol

C15H13N3O — CID 162354251

IUPAC2-[(4-phenyltriazol-1-yl)methyl]phenol
SMILESOc1ccccc1Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H13N3O/c19-15-9-5-4-8-13(15)10-18-11-14(16-17-18)12-6-2-1-3-7-12/h1-9,11,19H,10H2
InChIKeyYWRYSMHDUJJFRR-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.70
Rot. Bonds3

About 2-[(4-phenyltriazol-1-yl)methyl]phenol

2-[(4-phenyltriazol-1-yl)methyl]phenol (PubChem CID 162354251) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(4-phenyltriazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-phenyltriazol-1-yl)methyl]phenol
PubChem CID162354251
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-[(4-phenyltriazol-1-yl)methyl]phenol
SMILESOc1ccccc1Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H13N3O/c19-15-9-5-4-8-13(15)10-18-11-14(16-17-18)12-6-2-1-3-7-12/h1-9,11,19H,10H2
InChIKeyYWRYSMHDUJJFRR-UHFFFAOYSA-N
XLogP2.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(4-Benzyltriazol-1-yl)phenol
CID 52947733
3-(4-Hydroxyphenyl-1,2,3-triazol-1-yl)quinuclidine
CID 122553341
2-(1H-1,2,3-triazol-4-yl)-phenol
CID 135482065
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)phenol
CID 3491594
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-methylphenol
CID 3764715
3-[1-(3-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]phenol
CID 16721115
2-[(4-Benzyltriazol-1-yl)methyl]phenol
CID 11437030
3-[4-(4-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]phenol
CID 44585931
4-[1-(3-Carbamimidoylphenyl)triazol-4-yl]-3-hydroxybenzenecarboximidamide;dihydrochloride
CID 44627861
4-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-3-hydroxybenzenecarboximidamide;dihydrochloride
CID 44628073
3-[1-(3-Carbamimidoylphenyl)triazol-4-yl]-4-hydroxybenzenecarboximidamide;dihydrochloride
CID 135927275
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-hydroxybenzenecarboximidamide;dihydrochloride
CID 135927282

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyltriazol-1-yl)methyl]phenol?
The IUPAC name of 2-[(4-phenyltriazol-1-yl)methyl]phenol (CID 162354251) is 2-[(4-phenyltriazol-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(4-phenyltriazol-1-yl)methyl]phenol?
The canonical SMILES for 2-[(4-phenyltriazol-1-yl)methyl]phenol is Oc1ccccc1Cn1cc(-c2ccccc2)nn1.
What is the InChIKey of 2-[(4-phenyltriazol-1-yl)methyl]phenol?
The InChIKey is YWRYSMHDUJJFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-9-5-4-8-13(15)10-18-11-14(16-17-18)12-6-2-1-3-7-12/h1-9,11,19H,10H2.
What are the key properties of 2-[(4-phenyltriazol-1-yl)methyl]phenol?
2-[(4-phenyltriazol-1-yl)methyl]phenol has a molecular weight of 251.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyltriazol-1-yl)methyl]phenol is sourced from PubChem (CID 162354251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).