(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C26H20O7 — CID 127252858

IUPAC(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3C(c3ccc(O)cc3)CC(=O)O4)C2=O)cc1OC
InChIInChI=1S/C26H20O7/c1-30-19-9-3-14(11-21(19)31-2)12-22-25(29)17-8-10-20-24(26(17)33-22)18(13-23(28)32-20)15-4-6-16(27)7-5-15/h3-12,18,27H,13H2,1-2H3/b22-12-
InChIKeyWHNYOFYDALXAKL-UUYOSTAYSA-N
MW444.44 g/mol
LogP4.47
Rot. Bonds4

About (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 127252858) has the molecular formula C26H20O7 and a molecular weight of 444.44 g/mol. Its IUPAC name is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID127252858
Molecular FormulaC26H20O7
Molecular Weight444.44 g/mol
Exact Mass444.12
IUPAC Name(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3C(c3ccc(O)cc3)CC(=O)O4)C2=O)cc1OC
InChIInChI=1S/C26H20O7/c1-30-19-9-3-14(11-21(19)31-2)12-22-25(29)17-8-10-20-24(26(17)33-22)18(13-23(28)32-20)15-4-6-16(27)7-5-15/h3-12,18,27H,13H2,1-2H3/b22-12-
InChIKeyWHNYOFYDALXAKL-UUYOSTAYSA-N
XLogP4.47
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 127252858) is (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(/C=C2\Oc3c(ccc4c3C(c3ccc(O)cc3)CC(=O)O4)C2=O)cc1OC.
What is the InChIKey of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is WHNYOFYDALXAKL-UUYOSTAYSA-N. The full InChI is InChI=1S/C26H20O7/c1-30-19-9-3-14(11-21(19)31-2)12-22-25(29)17-8-10-20-24(26(17)33-22)18(13-23(28)32-20)15-4-6-16(27)7-5-15/h3-12,18,27H,13H2,1-2H3/b22-12-.
What are the key properties of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 444.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 127252858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).