5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole

C18H20N4O3 — CID 52615802

IUPAC5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
SMILESCOc1ccc(-c2nnn(CCOc3ccccc3C)n2)cc1OC
InChIInChI=1S/C18H20N4O3/c1-13-6-4-5-7-15(13)25-11-10-22-20-18(19-21-22)14-8-9-16(23-2)17(12-14)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyXVMCGMZIBFDQOF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.74
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole

5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole (PubChem CID 52615802) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
PubChem CID52615802
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
SMILESCOc1ccc(-c2nnn(CCOc3ccccc3C)n2)cc1OC
InChIInChI=1S/C18H20N4O3/c1-13-6-4-5-7-15(13)25-11-10-22-20-18(19-21-22)14-8-9-16(23-2)17(12-14)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyXVMCGMZIBFDQOF-UHFFFAOYSA-N
XLogP2.74
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
CID 36657770
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
5-(3,4-dimethoxyphenyl)-2-(2-methylsulfonylethyl)tetrazole
CID 55410639
5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole
CID 84589047
5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
CID 7467433
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
CID 84595829
1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(2-methylphenyl)sulfanylurea
CID 21149856
CID 59526706
CID 59526706
4-[2-[2-(2-chlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996432
4-methoxy-3-[2-(2-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20987436

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole (CID 52615802) is 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole is COc1ccc(-c2nnn(CCOc3ccccc3C)n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole?
The InChIKey is XVMCGMZIBFDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-6-4-5-7-15(13)25-11-10-22-20-18(19-21-22)14-8-9-16(23-2)17(12-14)24-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole?
5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole has a molecular weight of 340.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole is sourced from PubChem (CID 52615802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).