ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate

C20H18ClNO6 — CID 86641819

IUPACethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2cc3c(cc2O)OCC3)c2c(Cl)cccc21
InChIInChI=1S/C20H18ClNO6/c1-2-27-17(24)10-22-14-5-3-4-13(21)18(14)20(26,19(22)25)12-8-11-6-7-28-16(11)9-15(12)23/h3-5,8-9,23,26H,2,6-7,10H2,1H3
InChIKeyWWMIEHIYGXMENW-UHFFFAOYSA-N
MW403.82 g/mol
LogP2.13
Rot. Bonds4

About ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate

ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate (PubChem CID 86641819) has the molecular formula C20H18ClNO6 and a molecular weight of 403.82 g/mol. Its IUPAC name is ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate
PubChem CID86641819
Molecular FormulaC20H18ClNO6
Molecular Weight403.82 g/mol
Exact Mass403.08
IUPAC Nameethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2cc3c(cc2O)OCC3)c2c(Cl)cccc21
InChIInChI=1S/C20H18ClNO6/c1-2-27-17(24)10-22-14-5-3-4-13(21)18(14)20(26,19(22)25)12-8-11-6-7-28-16(11)9-15(12)23/h3-5,8-9,23,26H,2,6-7,10H2,1H3
InChIKeyWWMIEHIYGXMENW-UHFFFAOYSA-N
XLogP2.13
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[5-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate
CID 58872441
ethyl 2-[4-bromo-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3-(hydroxymethyl)-2-oxoindol-1-yl]acetate
CID 58872489
3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-1-pentylindol-2-one
CID 12004407
2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263434
ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate
CID 58872506
1-benzhydryl-4-fluoro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-7-methylindol-2-one
CID 68596899
ethyl 2-[3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
CID 2898105
[5-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2H-indol-1-yl] 2-oxobutanoate
CID 91314509
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 176656736
2-(5'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 11998583
ethyl 2-[(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-2-oxoindol-1-yl]acetate
CID 1331082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate (CID 86641819) is ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate is CCOC(=O)CN1C(=O)C(O)(c2cc3c(cc2O)OCC3)c2c(Cl)cccc21.
What is the InChIKey of ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate?
The InChIKey is WWMIEHIYGXMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO6/c1-2-27-17(24)10-22-14-5-3-4-13(21)18(14)20(26,19(22)25)12-8-11-6-7-28-16(11)9-15(12)23/h3-5,8-9,23,26H,2,6-7,10H2,1H3.
What are the key properties of ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate?
ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate has a molecular weight of 403.82 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 86641819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).