ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate

C13H15Cl2N3O3 — CID 23048453

IUPACethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate
SMILESCCOC(=O)C(C)ON1C=CN(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C13H15Cl2N3O3/c1-3-20-13(19)9(2)21-18-7-6-17(16-18)12-5-4-10(14)8-11(12)15/h4-9,16H,3H2,1-2H3
InChIKeyHGJPJFCCCBTPIN-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate

ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate (PubChem CID 23048453) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate
PubChem CID23048453
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Nameethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate
SMILESCCOC(=O)C(C)ON1C=CN(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C13H15Cl2N3O3/c1-3-20-13(19)9(2)21-18-7-6-17(16-18)12-5-4-10(14)8-11(12)15/h4-9,16H,3H2,1-2H3
InChIKeyHGJPJFCCCBTPIN-UHFFFAOYSA-N
XLogP2.89
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2,4-dichlorophenyl)-3-ethoxy-3-propan-2-yl-1H-pyrazole-5-carboxylate
CID 67915167
ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate
CID 3611698
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
ethyl 2-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 8604540
ethyl 2-[[3-(3,4-dichlorophenyl)-2H-triazol-1-yl]sulfanyl]propanoate
CID 23048494
ethyl 2-(2,5-dichlorophenyl)-3-methylbutanoate
CID 55195804
ethyl 2-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]sulfanylacetate
CID 43801775
ethyl 2-[4-[(6-chloro-1-methyl-2H-quinolin-3-yl)oxy]phenoxy]propanoate
CID 70418872
ethyl 5-chloro-1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylate
CID 121346461
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
ethyl 2-[5-(2,4-dichlorophenyl)-3,6-dimethylpyrazin-2-yl]oxypropanoate
CID 22248982
diethyl 2-(5-chloro-2-pyrazol-1-ylphenyl)propanedioate
CID 71723825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate?
The IUPAC name of ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate (CID 23048453) is ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate is CCOC(=O)C(C)ON1C=CN(c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate?
The InChIKey is HGJPJFCCCBTPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c1-3-20-13(19)9(2)21-18-7-6-17(16-18)12-5-4-10(14)8-11(12)15/h4-9,16H,3H2,1-2H3.
What are the key properties of ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate?
ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate has a molecular weight of 332.19 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2,4-dichlorophenyl)-2H-triazol-1-yl]oxy]propanoate is sourced from PubChem (CID 23048453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).