8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

C20H14O6 — CID 6618517

IUPAC8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCOc1cc(C=C2Oc3ccc4c(C)cc(=O)oc4c3C2=O)ccc1O
InChIInChI=1S/C20H14O6/c1-10-7-17(22)26-20-12(10)4-6-14-18(20)19(23)16(25-14)9-11-3-5-13(21)15(8-11)24-2/h3-9,21H,1-2H3
InChIKeyGXVVYAMCEOAQPH-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.43
Rot. Bonds2

About 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (PubChem CID 6618517) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.

Molecular Properties

Compound Name8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
PubChem CID6618517
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCOc1cc(C=C2Oc3ccc4c(C)cc(=O)oc4c3C2=O)ccc1O
InChIInChI=1S/C20H14O6/c1-10-7-17(22)26-20-12(10)4-6-14-18(20)19(23)16(25-14)9-11-3-5-13(21)15(8-11)24-2/h3-9,21H,1-2H3
InChIKeyGXVVYAMCEOAQPH-UHFFFAOYSA-N
XLogP3.43
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The IUPAC name of 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (CID 6618517) is 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.
What is the SMILES notation for 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The canonical SMILES for 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is COc1cc(C=C2Oc3ccc4c(C)cc(=O)oc4c3C2=O)ccc1O.
What is the InChIKey of 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The InChIKey is GXVVYAMCEOAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c1-10-7-17(22)26-20-12(10)4-6-14-18(20)19(23)16(25-14)9-11-3-5-13(21)15(8-11)24-2/h3-9,21H,1-2H3.
What are the key properties of 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione has a molecular weight of 350.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is sourced from PubChem (CID 6618517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).