(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate

C13H14Cl2O4 — CID 78877457

IUPAC(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate
SMILESCCOC(=O)COC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2O4/c1-2-18-12(17)8-19-11(16)7-6-9-4-3-5-10(14)13(9)15/h3-5H,2,6-8H2,1H3
InChIKeyPWEZLRPXHRDEOX-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.03
Rot. Bonds6

About (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate

(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate (PubChem CID 78877457) has the molecular formula C13H14Cl2O4 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate
PubChem CID78877457
Molecular FormulaC13H14Cl2O4
Molecular Weight305.16 g/mol
Exact Mass304.03
IUPAC Name(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate
SMILESCCOC(=O)COC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2O4/c1-2-18-12(17)8-19-11(16)7-6-9-4-3-5-10(14)13(9)15/h3-5H,2,6-8H2,1H3
InChIKeyPWEZLRPXHRDEOX-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
CID 55706670
2-[2-chloro-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 119021094
ethyl 4-(2,3-dichlorophenyl)-2,2-dimethylbutanoate
CID 58488980
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
ethyl 4-chloro-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134643165
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
CID 2313836
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
CID 134444752

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate (CID 78877457) is (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate is CCOC(=O)COC(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate?
The InChIKey is PWEZLRPXHRDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O4/c1-2-18-12(17)8-19-11(16)7-6-9-4-3-5-10(14)13(9)15/h3-5H,2,6-8H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate?
(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate has a molecular weight of 305.16 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate is sourced from PubChem (CID 78877457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).