2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C23H16O7 — CID 162880920

IUPAC2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccco2)C4=O)cc1O
InChIInChI=1S/C23H16O7/c1-27-17-6-4-12(9-16(17)24)15-11-20(25)29-18-7-5-14-22(26)19(30-23(14)21(15)18)10-13-3-2-8-28-13/h2-10,15,24H,11H2,1H3
InChIKeyXISVKSLWTDFDQU-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.05
Rot. Bonds3

About 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 162880920) has the molecular formula C23H16O7 and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID162880920
Molecular FormulaC23H16O7
Molecular Weight404.37 g/mol
Exact Mass404.09
IUPAC Name2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(C2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccco2)C4=O)cc1O
InChIInChI=1S/C23H16O7/c1-27-17-6-4-12(9-16(17)24)15-11-20(25)29-18-7-5-14-22(26)19(30-23(14)21(15)18)10-13-3-2-8-28-13/h2-10,15,24H,11H2,1H3
InChIKeyXISVKSLWTDFDQU-UHFFFAOYSA-N
XLogP4.05
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
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,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879691
(2Z)-2-(furan-2-ylmethylidene)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110208089
(2Z,9S)-2-benzylidene-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124875185
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252728
(2Z,9S)-2-(furan-2-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879750
(2Z,9S)-9-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-methoxyphenyl]-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877511
(2Z)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206306
(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122258
(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878935
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252858
(2Z,9R)-9-(3-hydroxy-4-methoxyphenyl)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122614
(2E,9S)-2-benzylidene-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877012

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 162880920) is 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(C2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccco2)C4=O)cc1O.
What is the InChIKey of 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is XISVKSLWTDFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O7/c1-27-17-6-4-12(9-16(17)24)15-11-20(25)29-18-7-5-14-22(26)19(30-23(14)21(15)18)10-13-3-2-8-28-13/h2-10,15,24H,11H2,1H3.
What are the key properties of 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 404.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 162880920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).