methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate

C11H12N4O3 — CID 653762

IUPACmethyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2cccc(OC)c2)n1
InChIInChI=1S/C11H12N4O3/c1-17-9-5-3-4-8(6-9)11-12-14-15(13-11)7-10(16)18-2/h3-6H,7H2,1-2H3
InChIKeyGRVOSJGLENUJAX-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.52
Rot. Bonds4

About methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate

methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate (PubChem CID 653762) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate
PubChem CID653762
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Namemethyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate
SMILESCOC(=O)Cn1nnc(-c2cccc(OC)c2)n1
InChIInChI=1S/C11H12N4O3/c1-17-9-5-3-4-8(6-9)11-12-14-15(13-11)7-10(16)18-2/h3-6H,7H2,1-2H3
InChIKeyGRVOSJGLENUJAX-UHFFFAOYSA-N
XLogP0.52
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetate
CID 1504697
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile
CID 605082
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
5-(3-methoxyphenyl)-1H-1,2,3,4-tetrazole
CID 3498447
[5-(2-Methoxy-phenyl)-tetrazol-2-yl]-acetonitrile
CID 646836
2-[5-(4-Butoxy-phenyl)-tetrazol-2-yl]-propionic acid ethyl ester
CID 652147
1-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-propan-2-one
CID 653064
[5-(3-Methoxy-phenyl)-tetrazol-2-yl]-acetic acid ethyl ester
CID 653651
[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetic acid cyclohexyl ester
CID 655622
3-[5-(3-Methoxy-phenyl)-tetrazol-2-yl]-propionic acid
CID 655980
2-Benzyl-5-(3,4-dimethoxy-phenyl)-2H-tetrazole
CID 842833

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate (CID 653762) is methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate is COC(=O)Cn1nnc(-c2cccc(OC)c2)n1.
What is the InChIKey of methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate?
The InChIKey is GRVOSJGLENUJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-9-5-3-4-8(6-9)11-12-14-15(13-11)7-10(16)18-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate?
methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate has a molecular weight of 248.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 653762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).