methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate

C11H12N4O4 — CID 16766125

IUPACmethyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-n2cnnn2)cc1OC
InChIInChI=1S/C11H12N4O4/c1-17-10-5-8(15-7-12-13-14-15)3-4-9(10)19-6-11(16)18-2/h3-5,7H,6H2,1-2H3
InChIKeyOBLFGWBZNUPOBO-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.22
Rot. Bonds5

About methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate

methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate (PubChem CID 16766125) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
PubChem CID16766125
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Namemethyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-n2cnnn2)cc1OC
InChIInChI=1S/C11H12N4O4/c1-17-10-5-8(15-7-12-13-14-15)3-4-9(10)19-6-11(16)18-2/h3-5,7H,6H2,1-2H3
InChIKeyOBLFGWBZNUPOBO-UHFFFAOYSA-N
XLogP0.22
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500735
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 55811842
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 8814165
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
[4-(tetrazol-1-yl)phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 4815623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate (CID 16766125) is methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate is COC(=O)COc1ccc(-n2cnnn2)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate?
The InChIKey is OBLFGWBZNUPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-17-10-5-8(15-7-12-13-14-15)3-4-9(10)19-6-11(16)18-2/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate?
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate has a molecular weight of 264.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate is sourced from PubChem (CID 16766125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).