5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione

C18H10O5 — CID 156576329

IUPAC5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
SMILESC=C1OC(=O)c2ccc(Cc3ccc4c(c3)C(=O)OC4=O)cc21
InChIInChI=1S/C18H10O5/c1-9-14-7-10(2-4-12(14)16(19)22-9)6-11-3-5-13-15(8-11)18(21)23-17(13)20/h2-5,7-8H,1,6H2
InChIKeyLLNUULZRPHEFFM-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.73
Rot. Bonds2

About 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione

5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione (PubChem CID 156576329) has the molecular formula C18H10O5 and a molecular weight of 306.27 g/mol. Its IUPAC name is 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
PubChem CID156576329
Molecular FormulaC18H10O5
Molecular Weight306.27 g/mol
Exact Mass306.05
IUPAC Name5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
SMILESC=C1OC(=O)c2ccc(Cc3ccc4c(c3)C(=O)OC4=O)cc21
InChIInChI=1S/C18H10O5/c1-9-14-7-10(2-4-12(14)16(19)22-9)6-11-3-5-13-15(8-11)18(21)23-17(13)20/h2-5,7-8H,1,6H2
InChIKeyLLNUULZRPHEFFM-UHFFFAOYSA-N
XLogP2.73
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-2-benzofuran-1,3-dione
CID 12658460
5-(sulfanylmethyl)-2-benzofuran-1,3-dione
CID 175344523
5-[3-(1,3-dioxo-2-benzofuran-5-yl)-2-oxopropyl]-2-benzofuran-1,3-dione
CID 155366189
2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyethyl 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 146653316
5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 54291085
5,6-dichloro-3-methylidene-2-benzofuran-1-one
CID 118463747
23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
CID 123358491
5-[(1,3-dioxo-2-benzofuran-5-yl)methoxysulfanyloxymethyl]-2-benzofuran-1,3-dione
CID 147272198
(1,3-dioxo-2-benzofuran-5-carbonyl)oxymethyl 1-methylidene-3-oxo-2-benzofuran-5-carboxylate
CID 118545018
[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl] 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 89404579
potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 142056050
5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-2-benzofuran-1,3-dione
CID 137483304

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione (CID 156576329) is 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione is C=C1OC(=O)c2ccc(Cc3ccc4c(c3)C(=O)OC4=O)cc21.
What is the InChIKey of 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
The InChIKey is LLNUULZRPHEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O5/c1-9-14-7-10(2-4-12(14)16(19)22-9)6-11-3-5-13-15(8-11)18(21)23-17(13)20/h2-5,7-8H,1,6H2.
What are the key properties of 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione?
5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione has a molecular weight of 306.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 156576329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).