(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C28H18O8 — CID 110206129

IUPAC(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3C(c3coc5ccccc5c3=O)CC(=O)O4)C2=O)cc1O
InChIInChI=1S/C28H18O8/c1-33-21-8-6-14(10-19(21)29)11-23-27(32)16-7-9-22-25(28(16)36-23)17(12-24(30)35-22)18-13-34-20-5-3-2-4-15(20)26(18)31/h2-11,13,17,29H,12H2,1H3/b23-11-
InChIKeyVEOFCWBNNKABQP-KSEXSDGBSA-N
MW482.44 g/mol
LogP4.56
Rot. Bonds3

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

(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 110206129) has the molecular formula C28H18O8 and a molecular weight of 482.44 g/mol. Its IUPAC name is (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID110206129
Molecular FormulaC28H18O8
Molecular Weight482.44 g/mol
Exact Mass482.10
IUPAC Name(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3C(c3coc5ccccc5c3=O)CC(=O)O4)C2=O)cc1O
InChIInChI=1S/C28H18O8/c1-33-21-8-6-14(10-19(21)29)11-23-27(32)16-7-9-22-25(28(16)36-23)17(12-24(30)35-22)18-13-34-20-5-3-2-4-15(20)26(18)31/h2-11,13,17,29H,12H2,1H3/b23-11-
InChIKeyVEOFCWBNNKABQP-KSEXSDGBSA-N
XLogP4.56
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 110206129) is (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(/C=C2\Oc3c(ccc4c3C(c3coc5ccccc5c3=O)CC(=O)O4)C2=O)cc1O.
What is the InChIKey of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is VEOFCWBNNKABQP-KSEXSDGBSA-N. The full InChI is InChI=1S/C28H18O8/c1-33-21-8-6-14(10-19(21)29)11-23-27(32)16-7-9-22-25(28(16)36-23)17(12-24(30)35-22)18-13-34-20-5-3-2-4-15(20)26(18)31/h2-11,13,17,29H,12H2,1H3/b23-11-.
What are the key properties of (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 482.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 110206129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).