2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione

C17H13N5O3 — CID 8566135

IUPAC2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H13N5O3/c23-16-14-3-1-2-4-15(14)17(24)21(16)9-10-25-13-7-5-12(6-8-13)22-11-18-19-20-22/h1-8,11H,9-10H2
InChIKeyYSPFKQHYVPYPQX-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.34
Rot. Bonds5

About 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione

2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione (PubChem CID 8566135) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
PubChem CID8566135
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H13N5O3/c23-16-14-3-1-2-4-15(14)17(24)21(16)9-10-25-13-7-5-12(6-8-13)22-11-18-19-20-22/h1-8,11H,9-10H2
InChIKeyYSPFKQHYVPYPQX-UHFFFAOYSA-N
XLogP1.34
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(tetrazol-1-yl)phenoxy]butyl]isoindole-1,3-dione
CID 67598186
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 18079355
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]benzonitrile
CID 7670851
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
CID 8566130
3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918836
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 90518653
2-[3-(4-ethynylphenoxy)propyl]isoindole-1,3-dione
CID 155919875

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione (CID 8566135) is 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione?
The InChIKey is YSPFKQHYVPYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-16-14-3-1-2-4-15(14)17(24)21(16)9-10-25-13-7-5-12(6-8-13)22-11-18-19-20-22/h1-8,11H,9-10H2.
What are the key properties of 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione?
2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione has a molecular weight of 335.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 8566135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).