2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole

C19H22N4O2 — CID 18286516

IUPAC2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
SMILESCOc1ccc(OCCn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(2)15-4-6-16(7-5-15)19-20-22-23(21-19)12-13-25-18-10-8-17(24-3)9-11-18/h4-11,14H,12-13H2,1-3H3
InChIKeyZSXJHQRLNIYACI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.55
Rot. Bonds7

About 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole

2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole (PubChem CID 18286516) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
PubChem CID18286516
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
SMILESCOc1ccc(OCCn2nnc(-c3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(2)15-4-6-16(7-5-15)19-20-22-23(21-19)12-13-25-18-10-8-17(24-3)9-11-18/h4-11,14H,12-13H2,1-3H3
InChIKeyZSXJHQRLNIYACI-UHFFFAOYSA-N
XLogP3.55
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanoate
CID 1150142
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
CID 2526533
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
CID 3074470
N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
CID 24557123
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole (CID 18286516) is 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole is COc1ccc(OCCn2nnc(-c3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole?
The InChIKey is ZSXJHQRLNIYACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(2)15-4-6-16(7-5-15)19-20-22-23(21-19)12-13-25-18-10-8-17(24-3)9-11-18/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole?
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole has a molecular weight of 338.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole is sourced from PubChem (CID 18286516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).