2-[2-(2-bromoethoxy)phenyl]benzotriazole

C14H12BrN3O — CID 149338727

IUPAC2-[2-(2-bromoethoxy)phenyl]benzotriazole
SMILESBrCCOc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C14H12BrN3O/c15-9-10-19-14-8-4-3-7-13(14)18-16-11-5-1-2-6-12(11)17-18/h1-8H,9-10H2
InChIKeyYDTGHXWCYDAQKX-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-(2-bromoethoxy)phenyl]benzotriazole

2-[2-(2-bromoethoxy)phenyl]benzotriazole (PubChem CID 149338727) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-[2-(2-bromoethoxy)phenyl]benzotriazole.

Molecular Properties

Compound Name2-[2-(2-bromoethoxy)phenyl]benzotriazole
PubChem CID149338727
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-[2-(2-bromoethoxy)phenyl]benzotriazole
SMILESBrCCOc1ccccc1-n1nc2ccccc2n1
InChIInChI=1S/C14H12BrN3O/c15-9-10-19-14-8-4-3-7-13(14)18-16-11-5-1-2-6-12(11)17-18/h1-8H,9-10H2
InChIKeyYDTGHXWCYDAQKX-UHFFFAOYSA-N
XLogP3.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethoxy)-2-(chloromethyl)benzene
CID 155667771
2-(5-methyl-2-tridecoxyphenyl)benzotriazole
CID 59946740
2-(4-butoxynaphthalen-1-yl)benzotriazole
CID 59307512
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
2-(benzotriazol-2-yl)-4-chloro-5-(2-hydroxyethoxy)phenol
CID 54109708
2-[4-[3-[2-(benzotriazol-2-yl)-4-bromophenoxy]propoxy]phenoxy]acetic acid
CID 70903799
2-(12-bromododecoxy)phenolate
CID 100985247
[2-(2-bromoethoxy)phenyl]-oxoazanium
CID 140662242
2-(benzotriazol-2-yl)-4-[[5-(benzotriazol-2-yl)-4-hydroxy-2-octoxyphenyl]methyl]-5-octoxyphenol
CID 151018306
2-[4-[6-[4-(benzotriazol-2-yl)phenoxy]hexoxy]phenyl]benzotriazole
CID 139659516
2-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]benzotriazole
CID 126655961
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methylacetamide
CID 91962426

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoethoxy)phenyl]benzotriazole?
The IUPAC name of 2-[2-(2-bromoethoxy)phenyl]benzotriazole (CID 149338727) is 2-[2-(2-bromoethoxy)phenyl]benzotriazole.
What is the SMILES notation for 2-[2-(2-bromoethoxy)phenyl]benzotriazole?
The canonical SMILES for 2-[2-(2-bromoethoxy)phenyl]benzotriazole is BrCCOc1ccccc1-n1nc2ccccc2n1.
What is the InChIKey of 2-[2-(2-bromoethoxy)phenyl]benzotriazole?
The InChIKey is YDTGHXWCYDAQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-9-10-19-14-8-4-3-7-13(14)18-16-11-5-1-2-6-12(11)17-18/h1-8H,9-10H2.
What are the key properties of 2-[2-(2-bromoethoxy)phenyl]benzotriazole?
2-[2-(2-bromoethoxy)phenyl]benzotriazole has a molecular weight of 318.17 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethoxy)phenyl]benzotriazole is sourced from PubChem (CID 149338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).