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

C28H18O7 — CID 163091475

IUPAC2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccccc1C=C1Oc2c(ccc3c2C(c2coc4ccccc4c2=O)CC(=O)O3)C1=O
InChIInChI=1S/C28H18O7/c1-32-20-8-4-2-6-15(20)12-23-27(31)17-10-11-22-25(28(17)35-23)18(13-24(29)34-22)19-14-33-21-9-5-3-7-16(21)26(19)30/h2-12,14,18H,13H2,1H3
InChIKeyFOJOBXYGSSCTEG-UHFFFAOYSA-N
MW466.45 g/mol
LogP4.86
Rot. Bonds3

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

2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163091475) has the molecular formula C28H18O7 and a molecular weight of 466.45 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID163091475
Molecular FormulaC28H18O7
Molecular Weight466.45 g/mol
Exact Mass466.11
IUPAC Name2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccccc1C=C1Oc2c(ccc3c2C(c2coc4ccccc4c2=O)CC(=O)O3)C1=O
InChIInChI=1S/C28H18O7/c1-32-20-8-4-2-6-15(20)12-23-27(31)17-10-11-22-25(28(17)35-23)18(13-24(29)34-22)19-14-33-21-9-5-3-7-16(21)26(19)30/h2-12,14,18H,13H2,1H3
InChIKeyFOJOBXYGSSCTEG-UHFFFAOYSA-N
XLogP4.86
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564621
2-[(2,4-dimethoxyphenyl)methylidene]-9-(6-methoxy-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163092548
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206129
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127254048
2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163093364
(2Z,9R)-9-(4-oxochromen-3-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125432546
(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 176586165
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
(2Z,9S)-9-(2,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123364
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91637481
2-[(2-methoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091631

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 163091475) is 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccccc1C=C1Oc2c(ccc3c2C(c2coc4ccccc4c2=O)CC(=O)O3)C1=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is FOJOBXYGSSCTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O7/c1-32-20-8-4-2-6-15(20)12-23-27(31)17-10-11-22-25(28(17)35-23)18(13-24(29)34-22)19-14-33-21-9-5-3-7-16(21)26(19)30/h2-12,14,18H,13H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 466.45 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163091475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).