(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

C21H16O6 — CID 162676744

IUPAC(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCCOc1cc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)ccc1O
InChIInChI=1S/C21H16O6/c1-3-25-16-9-12(4-6-14(16)22)10-17-20(24)19-15(26-17)7-5-13-11(2)8-18(23)27-21(13)19/h4-10,22H,3H2,1-2H3/b17-10-
InChIKeySEDMEZPXDWEUGV-YVLHZVERSA-N
MW364.35 g/mol
LogP3.82
Rot. Bonds3

About (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (PubChem CID 162676744) has the molecular formula C21H16O6 and a molecular weight of 364.35 g/mol. Its IUPAC name is (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.

Molecular Properties

Compound Name(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
PubChem CID162676744
Molecular FormulaC21H16O6
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCCOc1cc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)ccc1O
InChIInChI=1S/C21H16O6/c1-3-25-16-9-12(4-6-14(16)22)10-17-20(24)19-15(26-17)7-5-13-11(2)8-18(23)27-21(13)19/h4-10,22H,3H2,1-2H3/b17-10-
InChIKeySEDMEZPXDWEUGV-YVLHZVERSA-N
XLogP3.82
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.82
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 (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The IUPAC name of (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (CID 162676744) is (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.
What is the SMILES notation for (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The canonical SMILES for (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is CCOc1cc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)ccc1O.
What is the InChIKey of (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The InChIKey is SEDMEZPXDWEUGV-YVLHZVERSA-N. The full InChI is InChI=1S/C21H16O6/c1-3-25-16-9-12(4-6-14(16)22)10-17-20(24)19-15(26-17)7-5-13-11(2)8-18(23)27-21(13)19/h4-10,22H,3H2,1-2H3/b17-10-.
What are the key properties of (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione has a molecular weight of 364.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is sourced from PubChem (CID 162676744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).