5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione

C19H10O7 — CID 155366189

IUPAC5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione
SMILESO=C(Cc1ccc2c(c1)C(=O)OC2=O)Cc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C19H10O7/c20-11(5-9-1-3-12-14(7-9)18(23)25-16(12)21)6-10-2-4-13-15(8-10)19(24)26-17(13)22/h1-4,7-8H,5-6H2
InChIKeyGWKXDMOZQAXDDI-UHFFFAOYSA-N
MW350.28 g/mol
LogP1.66
Rot. Bonds4

About 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione

5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione (PubChem CID 155366189) has the molecular formula C19H10O7 and a molecular weight of 350.28 g/mol. Its IUPAC name is 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione
PubChem CID155366189
Molecular FormulaC19H10O7
Molecular Weight350.28 g/mol
Exact Mass350.04
IUPAC Name5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione
SMILESO=C(Cc1ccc2c(c1)C(=O)OC2=O)Cc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C19H10O7/c20-11(5-9-1-3-12-14(7-9)18(23)25-16(12)21)6-10-2-4-13-15(8-10)19(24)26-17(13)22/h1-4,7-8H,5-6H2
InChIKeyGWKXDMOZQAXDDI-UHFFFAOYSA-N
XLogP1.66
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione with MolForge

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Related Compounds

5-(sulfanylmethyl)-2-benzofuran-1,3-dione
CID 175344523
5-benzyl-2-benzofuran-1,3-dione
CID 12658460
2-(1,3-dioxo-2-benzofuran-5-yl)ethyl acetate
CID 175552750
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoacetyl]-2-benzofuran-1,3-dione
CID 118399224
5-[(1,3-dioxo-2-benzofuran-5-yl)methoxysulfanyloxymethyl]-2-benzofuran-1,3-dione
CID 147272198
5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 156576329
2-(1,3-dioxo-2-benzofuran-5-yl)ethyl 2-methylprop-2-enoate
CID 170165738
5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-2-benzofuran-1,3-dione
CID 137483304
bis(5-hydroxy-2-benzofuran-1,3-dione);methanediol;bis(yttrium)
CID 58823072
5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]phenyl] 1,3-dioxo-2-benzofuran-5-carboxylate
CID 162505278
tert-butyl N-[3-(1,3-dioxo-2-benzofuran-5-yl)propyl]-N-[3-(1,3-dioxo-2-benzofuran-5-yl)propyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]carbamate
CID 159617013

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione (CID 155366189) is 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione is O=C(Cc1ccc2c(c1)C(=O)OC2=O)Cc1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione?
The InChIKey is GWKXDMOZQAXDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10O7/c20-11(5-9-1-3-12-14(7-9)18(23)25-16(12)21)6-10-2-4-13-15(8-10)19(24)26-17(13)22/h1-4,7-8H,5-6H2.
What are the key properties of 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione?
5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione has a molecular weight of 350.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 155366189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).