(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate

C15H20N4O3 — CID 55400541

IUPAC(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate
SMILESCCCn1nnnc1COC(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H20N4O3/c1-4-8-19-13(16-17-18-19)9-21-14(20)10-22-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10H2,1-3H3
InChIKeyUFXGFEWXEUKMJY-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.82
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate

(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate (PubChem CID 55400541) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate
PubChem CID55400541
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate
SMILESCCCn1nnnc1COC(=O)COc1c(C)cccc1C
InChIInChI=1S/C15H20N4O3/c1-4-8-19-13(16-17-18-19)9-21-14(20)10-22-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10H2,1-3H3
InChIKeyUFXGFEWXEUKMJY-UHFFFAOYSA-N
XLogP1.82
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
(1-propyltetrazol-5-yl)methyl 2-(4-propan-2-ylphenoxy)acetate
CID 55402641
(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
(1-propyltetrazol-5-yl)methyl 2,4,6-trimethylbenzoate
CID 55399432
(1-propyltetrazol-5-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 55398906
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55401563
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995
(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate
CID 55769227

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate (CID 55400541) is (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate is CCCn1nnnc1COC(=O)COc1c(C)cccc1C.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate?
The InChIKey is UFXGFEWXEUKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-8-19-13(16-17-18-19)9-21-14(20)10-22-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate?
(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate has a molecular weight of 304.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 55400541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).