2-[4-(tetrazol-1-yl)phenoxy]acetic acid

C9H8N4O3 — CID 3159589

IUPAC2-[4-(tetrazol-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-7(2-4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChIKeyLFHALYQHTJOQOT-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.13
Rot. Bonds4

About 2-[4-(tetrazol-1-yl)phenoxy]acetic acid

2-[4-(tetrazol-1-yl)phenoxy]acetic acid (PubChem CID 3159589) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenoxy]acetic acid
PubChem CID3159589
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-[4-(tetrazol-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-7(2-4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChIKeyLFHALYQHTJOQOT-UHFFFAOYSA-N
XLogP0.13
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]acetic acid (CID 3159589) is 2-[4-(tetrazol-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenoxy]acetic acid is O=C(O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenoxy]acetic acid?
The InChIKey is LFHALYQHTJOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-9(15)5-16-8-3-1-7(2-4-8)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-(tetrazol-1-yl)phenoxy]acetic acid?
2-[4-(tetrazol-1-yl)phenoxy]acetic acid has a molecular weight of 220.19 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 3159589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).