2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid

C9H8N4O3 — CID 822287

IUPAC2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H8N4O3/c14-8(15)5-16-7-3-1-6(2-4-7)9-10-12-13-11-9/h1-4H,5H2,(H,14,15)(H,10,11,12,13)
InChIKeyXUUQYDIKEDGMQC-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.33
Rot. Bonds4

About 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid

2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid (PubChem CID 822287) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid
PubChem CID822287
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H8N4O3/c14-8(15)5-16-7-3-1-6(2-4-7)9-10-12-13-11-9/h1-4H,5H2,(H,14,15)(H,10,11,12,13)
InChIKeyXUUQYDIKEDGMQC-UHFFFAOYSA-N
XLogP0.33
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid (CID 822287) is 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid?
The InChIKey is XUUQYDIKEDGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-8(15)5-16-7-3-1-6(2-4-7)9-10-12-13-11-9/h1-4H,5H2,(H,14,15)(H,10,11,12,13).
What are the key properties of 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid?
2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid has a molecular weight of 220.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 822287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).