ethyl 5-chloro-2,4-diethoxybenzoate

C13H17ClO4 — CID 82551541

IUPACethyl 5-chloro-2,4-diethoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C13H17ClO4/c1-4-16-11-8-12(17-5-2)10(14)7-9(11)13(15)18-6-3/h7-8H,4-6H2,1-3H3
InChIKeyDZRWQEGANVUQDP-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.31
Rot. Bonds6

About ethyl 5-chloro-2,4-diethoxybenzoate

ethyl 5-chloro-2,4-diethoxybenzoate (PubChem CID 82551541) has the molecular formula C13H17ClO4 and a molecular weight of 272.73 g/mol. Its IUPAC name is ethyl 5-chloro-2,4-diethoxybenzoate.

Molecular Properties

Compound Nameethyl 5-chloro-2,4-diethoxybenzoate
PubChem CID82551541
Molecular FormulaC13H17ClO4
Molecular Weight272.73 g/mol
Exact Mass272.08
IUPAC Nameethyl 5-chloro-2,4-diethoxybenzoate
SMILESCCOC(=O)c1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C13H17ClO4/c1-4-16-11-8-12(17-5-2)10(14)7-9(11)13(15)18-6-3/h7-8H,4-6H2,1-3H3
InChIKeyDZRWQEGANVUQDP-UHFFFAOYSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-tert-butyl-5-chloro-2-ethoxybenzoate
CID 67245813
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 4-chloro-5-cyano-2-ethoxybenzoate
CID 68871558
1-(5-chloro-2,4-diethoxyphenyl)prop-2-en-1-one
CID 83959343
ethyl 2-(4-chloro-2,5-diethoxyphenyl)-2-oxoacetate
CID 82551579
ethyl 2-(5-chloro-2-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 117462293
ethyl 5-chloro-2,3,4-triethoxybenzoate
CID 96709826
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
ethyl 4-chloro-5-(dimethylsulfamoyl)-2-ethoxybenzoate
CID 68872377
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2,4-diethoxybenzoate?
The IUPAC name of ethyl 5-chloro-2,4-diethoxybenzoate (CID 82551541) is ethyl 5-chloro-2,4-diethoxybenzoate.
What is the SMILES notation for ethyl 5-chloro-2,4-diethoxybenzoate?
The canonical SMILES for ethyl 5-chloro-2,4-diethoxybenzoate is CCOC(=O)c1cc(Cl)c(OCC)cc1OCC.
What is the InChIKey of ethyl 5-chloro-2,4-diethoxybenzoate?
The InChIKey is DZRWQEGANVUQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO4/c1-4-16-11-8-12(17-5-2)10(14)7-9(11)13(15)18-6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 5-chloro-2,4-diethoxybenzoate?
ethyl 5-chloro-2,4-diethoxybenzoate has a molecular weight of 272.73 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2,4-diethoxybenzoate is sourced from PubChem (CID 82551541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).