1-[phenyl(propan-2-yloxy)methyl]benzotriazole

C16H17N3O — CID 3305553

IUPAC1-[phenyl(propan-2-yloxy)methyl]benzotriazole
SMILESCC(C)OC(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-12(2)20-16(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)17-18-19/h3-12,16H,1-2H3
InChIKeyHEYLVMYYPUFBGS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.40
Rot. Bonds4

About 1-[phenyl(propan-2-yloxy)methyl]benzotriazole

1-[phenyl(propan-2-yloxy)methyl]benzotriazole (PubChem CID 3305553) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[phenyl(propan-2-yloxy)methyl]benzotriazole.

Molecular Properties

Compound Name1-[phenyl(propan-2-yloxy)methyl]benzotriazole
PubChem CID3305553
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[phenyl(propan-2-yloxy)methyl]benzotriazole
SMILESCC(C)OC(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-12(2)20-16(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)17-18-19/h3-12,16H,1-2H3
InChIKeyHEYLVMYYPUFBGS-UHFFFAOYSA-N
XLogP3.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzotriazol-1-YL-acetic acid benzyl ester
CID 854230
1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzotriazole
CID 6490952
1-(1-Benzotriazolyl)-3-(2-methylphenoxy)-2-propanol
CID 3133140
1-[2-(2-Prop-2-enylphenoxy)ethyl]benzotriazole
CID 2986689
1-[2-(3,5-dimethylphenoxy)ethyl]-1H-benzotriazole
CID 6490954
1-[2-(2,6-Dimethyl-phenoxy)-ethyl]-1H-benzotriazole
CID 23724434
1-[(4-Methoxyphenyl)methyl]benzotriazole
CID 3786348
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanol
CID 15959249
4-Phenyl-1-(3-phenylmethoxypropyl)triazole
CID 24789348
1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]benzotriazole
CID 53377791
1-(Benzyloxycarbonyl)benzotriazole
CID 357512
Benzyl 2-(1h-benzo[d][1,2,3]triazol-1-yl)-2-oxoethylcarbamate
CID 26793272

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(propan-2-yloxy)methyl]benzotriazole?
The IUPAC name of 1-[phenyl(propan-2-yloxy)methyl]benzotriazole (CID 3305553) is 1-[phenyl(propan-2-yloxy)methyl]benzotriazole.
What is the SMILES notation for 1-[phenyl(propan-2-yloxy)methyl]benzotriazole?
The canonical SMILES for 1-[phenyl(propan-2-yloxy)methyl]benzotriazole is CC(C)OC(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-[phenyl(propan-2-yloxy)methyl]benzotriazole?
The InChIKey is HEYLVMYYPUFBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(2)20-16(13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)17-18-19/h3-12,16H,1-2H3.
What are the key properties of 1-[phenyl(propan-2-yloxy)methyl]benzotriazole?
1-[phenyl(propan-2-yloxy)methyl]benzotriazole has a molecular weight of 267.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(propan-2-yloxy)methyl]benzotriazole is sourced from PubChem (CID 3305553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).