ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate

C18H12Cl2O5 — CID 68515836

IUPACethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cccc(O)c12
InChIInChI=1S/C18H12Cl2O5/c1-2-24-18(23)15-14-12(21)4-3-5-13(14)25-17(15)16(22)10-7-6-9(19)8-11(10)20/h3-8,21H,2H2,1H3
InChIKeyDJZBILUYSHNKAD-UHFFFAOYSA-N
MW379.20 g/mol
LogP4.85
Rot. Bonds4

About ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate

ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate (PubChem CID 68515836) has the molecular formula C18H12Cl2O5 and a molecular weight of 379.20 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate
PubChem CID68515836
Molecular FormulaC18H12Cl2O5
Molecular Weight379.20 g/mol
Exact Mass378.01
IUPAC Nameethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cccc(O)c12
InChIInChI=1S/C18H12Cl2O5/c1-2-24-18(23)15-14-12(21)4-3-5-13(14)25-17(15)16(22)10-7-6-9(19)8-11(10)20/h3-8,21H,2H2,1H3
InChIKeyDJZBILUYSHNKAD-UHFFFAOYSA-N
XLogP4.85
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
ethyl 5-(2,4-dichlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-4-hydroxy-1-methylpyrrole-3-carboxylate
CID 135841629
ethyl 3-[(2-chloro-4-fluorobenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560216
ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906
ethyl 7-chloro-4-hydroxy-2-oxochromene-3-carboxylate
CID 54734584
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(2,4-dichlorophenyl)-[3-methyl-6-(3-nitrophenyl)-1-benzofuran-2-yl]methanone
CID 68692023
ethyl 6-chloro-3-iodo-1-benzofuran-2-carboxylate
CID 168780929

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate (CID 68515836) is ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cccc(O)c12.
What is the InChIKey of ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate?
The InChIKey is DJZBILUYSHNKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O5/c1-2-24-18(23)15-14-12(21)4-3-5-13(14)25-17(15)16(22)10-7-6-9(19)8-11(10)20/h3-8,21H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate?
ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate has a molecular weight of 379.20 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorobenzoyl)-4-hydroxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 68515836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).