2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole

C18H20N4O2 — CID 36657770

IUPAC2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
SMILESCOc1cccc(-c2nnn(CCOc3cc(C)ccc3C)n2)c1
InChIInChI=1S/C18H20N4O2/c1-13-7-8-14(2)17(11-13)24-10-9-22-20-18(19-21-22)15-5-4-6-16(12-15)23-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeyWJHTWMLMNNHHBJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole

2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole (PubChem CID 36657770) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
PubChem CID36657770
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
SMILESCOc1cccc(-c2nnn(CCOc3cc(C)ccc3C)n2)c1
InChIInChI=1S/C18H20N4O2/c1-13-7-8-14(2)17(11-13)24-10-9-22-20-18(19-21-22)15-5-4-6-16(12-15)23-3/h4-8,11-12H,9-10H2,1-3H3
InChIKeyWJHTWMLMNNHHBJ-UHFFFAOYSA-N
XLogP3.04
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
CID 52615802
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
2-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethyl]isoindole-1,3-dione
CID 17452041
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
CID 861082
2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
CID 112769919
2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 46582916
2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole
CID 60592949
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
propan-2-yl 3-[2-(2-phenoxyethyl)tetrazol-5-yl]benzoate
CID 51582592
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole?
The IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole (CID 36657770) is 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole.
What is the SMILES notation for 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole?
The canonical SMILES for 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole is COc1cccc(-c2nnn(CCOc3cc(C)ccc3C)n2)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole?
The InChIKey is WJHTWMLMNNHHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-7-8-14(2)17(11-13)24-10-9-22-20-18(19-21-22)15-5-4-6-16(12-15)23-3/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole?
2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole has a molecular weight of 324.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole is sourced from PubChem (CID 36657770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).