methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate

C10H10N4O3 — CID 59205718

IUPACmethyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H10N4O3/c1-16-9(15)6-17-8-4-2-7(3-5-8)10-11-13-14-12-10/h2-5H,6H2,1H3,(H,11,12,13,14)
InChIKeyLPPLMZXDYGZFSU-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.42
Rot. Bonds4

About methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate

methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate (PubChem CID 59205718) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
PubChem CID59205718
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Namemethyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H10N4O3/c1-16-9(15)6-17-8-4-2-7(3-5-8)10-11-13-14-12-10/h2-5H,6H2,1H3,(H,11,12,13,14)
InChIKeyLPPLMZXDYGZFSU-UHFFFAOYSA-N
XLogP0.42
TPSA89.99 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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate (CID 59205718) is methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate is COC(=O)COc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate?
The InChIKey is LPPLMZXDYGZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-16-9(15)6-17-8-4-2-7(3-5-8)10-11-13-14-12-10/h2-5H,6H2,1H3,(H,11,12,13,14).
What are the key properties of methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate?
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate has a molecular weight of 234.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate is sourced from PubChem (CID 59205718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).