2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C26H16O7 — CID 163093364

IUPAC2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCc1ccc(C=C2Oc3c(ccc4c3C(c3coc5ccccc5c3=O)CC(=O)O4)C2=O)o1
InChIInChI=1S/C26H16O7/c1-13-6-7-14(31-13)10-21-25(29)16-8-9-20-23(26(16)33-21)17(11-22(27)32-20)18-12-30-19-5-3-2-4-15(19)24(18)28/h2-10,12,17H,11H2,1H3
InChIKeyMKPYKACNVRQWAS-UHFFFAOYSA-N
MW440.41 g/mol
LogP4.75
Rot. Bonds2

About 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163093364) has the molecular formula C26H16O7 and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID163093364
Molecular FormulaC26H16O7
Molecular Weight440.41 g/mol
Exact Mass440.09
IUPAC Name2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCc1ccc(C=C2Oc3c(ccc4c3C(c3coc5ccccc5c3=O)CC(=O)O4)C2=O)o1
InChIInChI=1S/C26H16O7/c1-13-6-7-14(31-13)10-21-25(29)16-8-9-20-23(26(16)33-21)17(11-22(27)32-20)18-12-30-19-5-3-2-4-15(19)24(18)28/h2-10,12,17H,11H2,1H3
InChIKeyMKPYKACNVRQWAS-UHFFFAOYSA-N
XLogP4.75
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127254048
2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091475
(2Z,9R)-9-(4-oxochromen-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125432546
(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 176586165
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206129
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91637481
2-[(2,4-dimethoxyphenyl)methylidene]-9-(6-methoxy-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163092548
(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564621
6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
CID 91637202
10-(4-oxochromen-3-yl)spiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-4,8-dione
CID 102564616
(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124879681

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 163093364) is 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is Cc1ccc(C=C2Oc3c(ccc4c3C(c3coc5ccccc5c3=O)CC(=O)O4)C2=O)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is MKPYKACNVRQWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O7/c1-13-6-7-14(31-13)10-21-25(29)16-8-9-20-23(26(16)33-21)17(11-22(27)32-20)18-12-30-19-5-3-2-4-15(19)24(18)28/h2-10,12,17H,11H2,1H3.
What are the key properties of 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 440.41 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163093364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).