2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol

C16H15N3O3 — CID 4264051

IUPAC2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol
SMILESOC(C1CO1)C(Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H15N3O3/c20-15(14-10-21-14)16(22-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)17-18-19/h1-9,14-16,20H,10H2
InChIKeyQZFRNZMFGQIKJF-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.77
Rot. Bonds5

About 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol

2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol (PubChem CID 4264051) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol
PubChem CID4264051
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol
SMILESOC(C1CO1)C(Oc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C16H15N3O3/c20-15(14-10-21-14)16(22-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)17-18-19/h1-9,14-16,20H,10H2
InChIKeyQZFRNZMFGQIKJF-UHFFFAOYSA-N
XLogP1.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone
CID 3455013
1-(1-phenoxyhexyl)benzotriazole
CID 3453762
2-(benzotriazol-1-yl)-2-(phenoxycarbonylamino)acetic acid
CID 18628958
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985
1-(2,3-dibromo-1-ethoxypropyl)benzotriazole
CID 3794280
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470
2-(benzotriazol-1-yl)-3-methylbutanamide
CID 46840686
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol (CID 4264051) is 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol is OC(C1CO1)C(Oc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol?
The InChIKey is QZFRNZMFGQIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(14-10-21-14)16(22-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)17-18-19/h1-9,14-16,20H,10H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol?
2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol has a molecular weight of 297.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol is sourced from PubChem (CID 4264051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).