4-(furan-2-ylmethylidene)isochromene-1,3-dione

C14H8O4 — CID 587564

IUPAC4-(furan-2-ylmethylidene)isochromene-1,3-dione
SMILESO=C1OC(=O)c2ccccc2C1=Cc1ccco1
InChIInChI=1S/C14H8O4/c15-13-11-6-2-1-5-10(11)12(14(16)18-13)8-9-4-3-7-17-9/h1-8H
InChIKeyDGGXSAMOLYQJIV-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.52
Rot. Bonds1

About 4-(furan-2-ylmethylidene)isochromene-1,3-dione

4-(furan-2-ylmethylidene)isochromene-1,3-dione (PubChem CID 587564) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-(furan-2-ylmethylidene)isochromene-1,3-dione.

Molecular Properties

Compound Name4-(furan-2-ylmethylidene)isochromene-1,3-dione
PubChem CID587564
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name4-(furan-2-ylmethylidene)isochromene-1,3-dione
SMILESO=C1OC(=O)c2ccccc2C1=Cc1ccco1
InChIInChI=1S/C14H8O4/c15-13-11-6-2-1-5-10(11)12(14(16)18-13)8-9-4-3-7-17-9/h1-8H
InChIKeyDGGXSAMOLYQJIV-UHFFFAOYSA-N
XLogP2.52
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-(furan-2-ylmethylidene)-1H-isochromen-3-one
CID 11053341
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
(2E)-2-(furan-2-ylmethylidene)-1,1-dioxo-1-benzothiophen-3-one
CID 117061012
4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 27718674
(4E)-4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 75365119
(3E)-1-acetyl-3-(furan-2-ylmethylidene)indol-2-one
CID 10729540
2-(furan-2-ylmethylidene)-1H-indol-3-one
CID 677294
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747
(4Z)-4-(furan-2-ylmethylidene)-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione
CID 8002094
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
CID 126120532

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylidene)isochromene-1,3-dione?
The IUPAC name of 4-(furan-2-ylmethylidene)isochromene-1,3-dione (CID 587564) is 4-(furan-2-ylmethylidene)isochromene-1,3-dione.
What is the SMILES notation for 4-(furan-2-ylmethylidene)isochromene-1,3-dione?
The canonical SMILES for 4-(furan-2-ylmethylidene)isochromene-1,3-dione is O=C1OC(=O)c2ccccc2C1=Cc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethylidene)isochromene-1,3-dione?
The InChIKey is DGGXSAMOLYQJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-13-11-6-2-1-5-10(11)12(14(16)18-13)8-9-4-3-7-17-9/h1-8H.
What are the key properties of 4-(furan-2-ylmethylidene)isochromene-1,3-dione?
4-(furan-2-ylmethylidene)isochromene-1,3-dione has a molecular weight of 240.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylidene)isochromene-1,3-dione is sourced from PubChem (CID 587564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).