2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol

C11H14N4O3 — CID 3720881

IUPAC2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O3/c16-5-6-17-7-8-18-10-3-1-9(2-4-10)11-12-14-15-13-11/h1-4,16H,5-8H2,(H,12,13,14,15)
InChIKeySXPBMSYWKFWQLL-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.25
Rot. Bonds7

About 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol

2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol (PubChem CID 3720881) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol
PubChem CID3720881
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol
SMILESOCCOCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O3/c16-5-6-17-7-8-18-10-3-1-9(2-4-10)11-12-14-15-13-11/h1-4,16H,5-8H2,(H,12,13,14,15)
InChIKeySXPBMSYWKFWQLL-UHFFFAOYSA-N
XLogP0.25
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol (CID 3720881) is 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol is OCCOCCOc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol?
The InChIKey is SXPBMSYWKFWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-5-6-17-7-8-18-10-3-1-9(2-4-10)11-12-14-15-13-11/h1-4,16H,5-8H2,(H,12,13,14,15).
What are the key properties of 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol?
2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol has a molecular weight of 250.26 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 3720881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).