(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C29H20O7 — CID 91637481

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3C(c3coc5ccc(C)cc5c3=O)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C29H20O7/c1-15-3-9-22-20(11-15)27(31)21(14-34-22)19-13-25(30)35-23-10-8-18-28(32)24(36-29(18)26(19)23)12-16-4-6-17(33-2)7-5-16/h3-12,14,19H,13H2,1-2H3/b24-12-
InChIKeyAIAIGNNBZFUUSD-MSXFZWOLSA-N
MW480.47 g/mol
LogP5.17
Rot. Bonds3

About (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 91637481) has the molecular formula C29H20O7 and a molecular weight of 480.47 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID91637481
Molecular FormulaC29H20O7
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3C(c3coc5ccc(C)cc5c3=O)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C29H20O7/c1-15-3-9-22-20(11-15)27(31)21(14-34-22)19-13-25(30)35-23-10-8-18-28(32)24(36-29(18)26(19)23)12-16-4-6-17(33-2)7-5-16/h3-12,14,19H,13H2,1-2H3/b24-12-
InChIKeyAIAIGNNBZFUUSD-MSXFZWOLSA-N
XLogP5.17
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.47
LogP ≤ 55.17
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'}

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Related Compounds

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-[(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,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616
(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
2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091475
(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
2-[(4-methoxyphenyl)methylidene]-9-(8-methyl-2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163089443
(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
(2E,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991304

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 91637481) is (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(/C=C2\Oc3c(ccc4c3C(c3coc5ccc(C)cc5c3=O)CC(=O)O4)C2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is AIAIGNNBZFUUSD-MSXFZWOLSA-N. The full InChI is InChI=1S/C29H20O7/c1-15-3-9-22-20(11-15)27(31)21(14-34-22)19-13-25(30)35-23-10-8-18-28(32)24(36-29(18)26(19)23)12-16-4-6-17(33-2)7-5-16/h3-12,14,19H,13H2,1-2H3/b24-12-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 480.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 91637481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).