methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate

C10H10N4O3 — CID 653890

IUPACmethyl 2-[3-(tetrazol-1-yl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H10N4O3/c1-16-10(15)6-17-9-4-2-3-8(5-9)14-7-11-12-13-14/h2-5,7H,6H2,1H3
InChIKeySANJOXKQMJSCCF-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.21
Rot. Bonds4

About methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate

methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate (PubChem CID 653890) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(tetrazol-1-yl)phenoxy]acetate
PubChem CID653890
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Namemethyl 2-[3-(tetrazol-1-yl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H10N4O3/c1-16-10(15)6-17-9-4-2-3-8(5-9)14-7-11-12-13-14/h2-5,7H,6H2,1H3
InChIKeySANJOXKQMJSCCF-UHFFFAOYSA-N
XLogP0.21
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
1-(2,5-dimethoxyphenyl)-1H-tetrazole
CID 665562
2-(4-(1H-Tetrazol-1-yl)phenoxy)propanoic acid
CID 6485344
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
2-[4-(Tetrazol-1-yl)phenoxy]acetamide
CID 817506
2-(4-(1H-1,2,3,4-tetrazol-1-yl)phenoxy)acetic acid
CID 3159589
Cyclohexanecarboxylic acid 3-tetrazol-1-yl-phenyl ester
CID 647260
N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864028
N-Phenyl-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 856182

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate (CID 653890) is methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate is COC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate?
The InChIKey is SANJOXKQMJSCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-16-10(15)6-17-9-4-2-3-8(5-9)14-7-11-12-13-14/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate?
methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate has a molecular weight of 234.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(tetrazol-1-yl)phenoxy]acetate is sourced from PubChem (CID 653890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).