1-(phenoxymethyl)benzotriazole

C13H11N3O — CID 640750

IUPAC1-(phenoxymethyl)benzotriazole
SMILESc1ccc(OCn2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChIKeyXZWVGFYDCFRPDZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds3

About 1-(phenoxymethyl)benzotriazole

1-(phenoxymethyl)benzotriazole (PubChem CID 640750) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(phenoxymethyl)benzotriazole.

Molecular Properties

Compound Name1-(phenoxymethyl)benzotriazole
PubChem CID640750
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-(phenoxymethyl)benzotriazole
SMILESc1ccc(OCn2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
InChIKeyXZWVGFYDCFRPDZ-UHFFFAOYSA-N
XLogP2.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenoxymethyl)-1,2,3-benzotriazin-4-one
CID 5300896
1-(phenylmethoxymethyl)benzotriazole
CID 3697434
1-(benzotriazol-1-yl)-3-(4-phenoxyphenoxy)propan-2-one
CID 102532112
4-[2-(benzotriazol-1-yl)ethoxy]aniline
CID 82097842
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(3-chloropropyl)benzotriazole
CID 5243938
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
1-(pent-1-en-3-yloxymethyl)benzotriazole
CID 3729105
4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 40563095
2-(benzotriazol-1-yl)acetonitrile
CID 139073743
1-(benzotriazol-1-ylmethylsulfinylmethyl)benzotriazole
CID 3765882
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)benzotriazole?
The IUPAC name of 1-(phenoxymethyl)benzotriazole (CID 640750) is 1-(phenoxymethyl)benzotriazole.
What is the SMILES notation for 1-(phenoxymethyl)benzotriazole?
The canonical SMILES for 1-(phenoxymethyl)benzotriazole is c1ccc(OCn2nnc3ccccc32)cc1.
What is the InChIKey of 1-(phenoxymethyl)benzotriazole?
The InChIKey is XZWVGFYDCFRPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2.
What are the key properties of 1-(phenoxymethyl)benzotriazole?
1-(phenoxymethyl)benzotriazole has a molecular weight of 225.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)benzotriazole is sourced from PubChem (CID 640750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).