(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C27H20O8 — CID 102565175

IUPAC(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cccc(/C=C2\Oc3c(ccc4c3C(c3ccc5c(c3)OCO5)CC(=O)O4)C2=O)c1OC
InChIInChI=1S/C27H20O8/c1-30-20-5-3-4-15(26(20)31-2)11-22-25(29)16-7-9-19-24(27(16)35-22)17(12-23(28)34-19)14-6-8-18-21(10-14)33-13-32-18/h3-11,17H,12-13H2,1-2H3/b22-11-
InChIKeySMCJGINDTRCLOE-JJFYIABZSA-N
MW472.45 g/mol
LogP4.49
Rot. Bonds4

About (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 102565175) has the molecular formula C27H20O8 and a molecular weight of 472.45 g/mol. Its IUPAC name is (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID102565175
Molecular FormulaC27H20O8
Molecular Weight472.45 g/mol
Exact Mass472.12
IUPAC Name(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cccc(/C=C2\Oc3c(ccc4c3C(c3ccc5c(c3)OCO5)CC(=O)O4)C2=O)c1OC
InChIInChI=1S/C27H20O8/c1-30-20-5-3-4-15(26(20)31-2)11-22-25(29)16-7-9-19-24(27(16)35-22)17(12-23(28)34-19)14-6-8-18-21(10-14)33-13-32-18/h3-11,17H,12-13H2,1-2H3/b22-11-
InChIKeySMCJGINDTRCLOE-JJFYIABZSA-N
XLogP4.49
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

4-[2-[(2,3-dimethoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]benzoic acid
CID 163018952
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
(2Z)-9-[3-(difluoromethoxy)phenyl]-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564857
(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122258
9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163027253
2-[(2,3-dimethoxyphenyl)methylidene]-9-(1-methyl-2-oxoquinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163079688
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99998041
(2E)-9-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 176586158
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206492
(2Z,9R)-9-(1,3-benzodioxol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125428918
9-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163089321
(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

Frequently Asked Questions

What is the IUPAC name of (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 102565175) is (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1cccc(/C=C2\Oc3c(ccc4c3C(c3ccc5c(c3)OCO5)CC(=O)O4)C2=O)c1OC.
What is the InChIKey of (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is SMCJGINDTRCLOE-JJFYIABZSA-N. The full InChI is InChI=1S/C27H20O8/c1-30-20-5-3-4-15(26(20)31-2)11-22-25(29)16-7-9-19-24(27(16)35-22)17(12-23(28)34-19)14-6-8-18-21(10-14)33-13-32-18/h3-11,17H,12-13H2,1-2H3/b22-11-.
What are the key properties of (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 472.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 102565175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).