[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C19H14Cl2O5 — CID 42983061

IUPAC[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)coc2c1
InChIInChI=1S/C19H14Cl2O5/c1-24-13-3-4-14-12(9-25-18(14)8-13)7-19(23)26-10-17(22)11-2-5-15(20)16(21)6-11/h2-6,8-9H,7,10H2,1H3
InChIKeyCVUXWWVNWYEYAV-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.72
Rot. Bonds6

About [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 42983061) has the molecular formula C19H14Cl2O5 and a molecular weight of 393.22 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID42983061
Molecular FormulaC19H14Cl2O5
Molecular Weight393.22 g/mol
Exact Mass392.02
IUPAC Name[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)coc2c1
InChIInChI=1S/C19H14Cl2O5/c1-24-13-3-4-14-12(9-25-18(14)8-13)7-19(23)26-10-17(22)11-2-5-15(20)16(21)6-11/h2-6,8-9H,7,10H2,1H3
InChIKeyCVUXWWVNWYEYAV-UHFFFAOYSA-N
XLogP4.72
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4857170
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525475
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2129016
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4210410
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7488971
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8732609
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4651451

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 42983061) is [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)coc2c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is CVUXWWVNWYEYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O5/c1-24-13-3-4-14-12(9-25-18(14)8-13)7-19(23)26-10-17(22)11-2-5-15(20)16(21)6-11/h2-6,8-9H,7,10H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 393.22 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 42983061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).