ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate

C12H13ClN4O3 — CID 71692586

IUPACethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1COc1ccccc1Cl
InChIInChI=1S/C12H13ClN4O3/c1-2-19-12(18)7-17-11(14-15-16-17)8-20-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3
InChIKeyVZBNQIRRCFMMKC-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.47
Rot. Bonds6

About ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate

ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate (PubChem CID 71692586) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate
PubChem CID71692586
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Nameethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1COc1ccccc1Cl
InChIInChI=1S/C12H13ClN4O3/c1-2-19-12(18)7-17-11(14-15-16-17)8-20-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3
InChIKeyVZBNQIRRCFMMKC-UHFFFAOYSA-N
XLogP1.47
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]-3-methylpentanoic acid
CID 82225858
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
CID 82226178
ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 2743654
ethyl 2-[5-(2-formylphenyl)tetrazol-1-yl]acetate
CID 123626176
ethyl 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetate
CID 166241840
ethyl 2-amino-4-[(2-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851197
ethyl 2-[5-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]tetrazol-1-yl]acetate
CID 42612392
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
ethyl 2-[5-[2-[3-(2-chloro-5-iodophenoxy)propoxy]-1,3-thiazol-5-yl]tetrazol-1-yl]acetate
CID 140550857
2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 51108351
3-O-ethyl 5-O-methyl 2-[[1-(2-amino-2-oxoethyl)tetrazol-5-yl]methoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13457203
[5-[(2-chlorophenoxy)methyl]-1-pentyltriazol-4-yl]methanamine
CID 94944035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate (CID 71692586) is ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1COc1ccccc1Cl.
What is the InChIKey of ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate?
The InChIKey is VZBNQIRRCFMMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-2-19-12(18)7-17-11(14-15-16-17)8-20-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate has a molecular weight of 296.71 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 71692586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).