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

C10H10N4O3 — CID 28643089

IUPAC2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
SMILESCn1nnc(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C10H10N4O3/c1-14-12-10(11-13-14)7-2-4-8(5-3-7)17-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyRJIWMKIHANXIBY-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.34
Rot. Bonds4

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

2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid (PubChem CID 28643089) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
PubChem CID28643089
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
SMILESCn1nnc(-c2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C10H10N4O3/c1-14-12-10(11-13-14)7-2-4-8(5-3-7)17-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyRJIWMKIHANXIBY-UHFFFAOYSA-N
XLogP0.34
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-3-methyl-2-[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]pentanoic acid
CID 91639558
2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
CID 86207484
N-(1-methylpyrazol-4-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
CID 75490894
N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
CID 123132730
2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
CID 1134074
2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71705465
1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
CID 84784697
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one
CID 22087183
2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one
CID 84794333
(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135089318

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid (CID 28643089) is 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid is Cn1nnc(-c2ccc(OCC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid?
The InChIKey is RJIWMKIHANXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-14-12-10(11-13-14)7-2-4-8(5-3-7)17-6-9(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid?
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid has a molecular weight of 234.22 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 28643089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).