methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate

C19H20N4O5 — CID 55841019

IUPACmethyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C19H20N4O5/c1-25-16-9-6-14(12-17(16)26-2)18-20-22-23(21-18)10-11-28-15-7-4-13(5-8-15)19(24)27-3/h4-9,12H,10-11H2,1-3H3
InChIKeyGIKCTHORACHXCY-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.22
Rot. Bonds8

About methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate

methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate (PubChem CID 55841019) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
PubChem CID55841019
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Namemethyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C19H20N4O5/c1-25-16-9-6-14(12-17(16)26-2)18-20-22-23(21-18)10-11-28-15-7-4-13(5-8-15)19(24)27-3/h4-9,12H,10-11H2,1-3H3
InChIKeyGIKCTHORACHXCY-UHFFFAOYSA-N
XLogP2.22
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
CID 52615802
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
[4-(2-decyltetrazol-5-yl)phenyl] 4-decoxybenzoate
CID 102108808
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
5-(3,4-dimethoxyphenyl)-2-(2-methylsulfonylethyl)tetrazole
CID 55410639
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole
CID 84589047
ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate
CID 135923786
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
4-[[4-[3-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]propoxy]phenyl]-methylidene-λ4-sulfanyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 142186041

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate (CID 55841019) is methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate is COC(=O)c1ccc(OCCn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate?
The InChIKey is GIKCTHORACHXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-25-16-9-6-14(12-17(16)26-2)18-20-22-23(21-18)10-11-28-15-7-4-13(5-8-15)19(24)27-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate?
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate has a molecular weight of 384.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate is sourced from PubChem (CID 55841019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).