[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C18H14Cl2O4 — CID 35477519

IUPAC[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14Cl2O4/c19-14-3-1-11(7-15(14)20)8-18(22)24-10-16(21)12-2-4-17-13(9-12)5-6-23-17/h1-4,7,9H,5-6,8,10H2
InChIKeyIAAZWJJPQRZOEF-UHFFFAOYSA-N
MW365.21 g/mol
LogP3.90
Rot. Bonds5

About [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 35477519) has the molecular formula C18H14Cl2O4 and a molecular weight of 365.21 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID35477519
Molecular FormulaC18H14Cl2O4
Molecular Weight365.21 g/mol
Exact Mass364.03
IUPAC Name[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H14Cl2O4/c19-14-3-1-11(7-15(14)20)8-18(22)24-10-16(21)12-2-4-17-13(9-12)5-6-23-17/h1-4,7,9H,5-6,8,10H2
InChIKeyIAAZWJJPQRZOEF-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535682
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8654312
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
CID 17497933
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 35533335
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724496
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514782
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 35460918
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8506376

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 35477519) is [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is IAAZWJJPQRZOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2O4/c19-14-3-1-11(7-15(14)20)8-18(22)24-10-16(21)12-2-4-17-13(9-12)5-6-23-17/h1-4,7,9H,5-6,8,10H2.
What are the key properties of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 365.21 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 35477519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).