(1-benzyltriazol-4-yl)-phenylmethanol

C16H15N3O — CID 11459772

IUPAC(1-benzyltriazol-4-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C16H15N3O/c20-16(14-9-5-2-6-10-14)15-12-19(18-17-15)11-13-7-3-1-4-8-13/h1-10,12,16,20H,11H2
InChIKeyCBBKVMLMBVASSY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.41
Rot. Bonds4

About (1-benzyltriazol-4-yl)-phenylmethanol

(1-benzyltriazol-4-yl)-phenylmethanol (PubChem CID 11459772) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-phenylmethanol
PubChem CID11459772
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(1-benzyltriazol-4-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C16H15N3O/c20-16(14-9-5-2-6-10-14)15-12-19(18-17-15)11-13-7-3-1-4-8-13/h1-10,12,16,20H,11H2
InChIKeyCBBKVMLMBVASSY-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
2-[(4-Benzyltriazol-1-yl)methyl]phenol
CID 11437030
4-(4-Pentylphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793725
(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 56835179
1-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 75176209
4-Phenyl-1-(3-phenylmethoxypropyl)triazole
CID 24789348
(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-1-hexyl-2-phenylpiperidin-4-ol
CID 46902703
(2R,4S,5S)-1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-phenylpiperidin-4-ol
CID 46902706

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-phenylmethanol?
The IUPAC name of (1-benzyltriazol-4-yl)-phenylmethanol (CID 11459772) is (1-benzyltriazol-4-yl)-phenylmethanol.
What is the SMILES notation for (1-benzyltriazol-4-yl)-phenylmethanol?
The canonical SMILES for (1-benzyltriazol-4-yl)-phenylmethanol is OC(c1ccccc1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of (1-benzyltriazol-4-yl)-phenylmethanol?
The InChIKey is CBBKVMLMBVASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(14-9-5-2-6-10-14)15-12-19(18-17-15)11-13-7-3-1-4-8-13/h1-10,12,16,20H,11H2.
What are the key properties of (1-benzyltriazol-4-yl)-phenylmethanol?
(1-benzyltriazol-4-yl)-phenylmethanol has a molecular weight of 265.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-phenylmethanol is sourced from PubChem (CID 11459772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).