(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C28H20O7 — CID 124879027

IUPAC(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)C2=O)cc1O
InChIInChI=1S/C28H20O7/c1-32-22-8-6-15(10-20(22)29)11-24-27(31)18-7-9-23-26(28(18)35-24)19(13-25(30)34-23)17-12-16-4-2-3-5-21(16)33-14-17/h2-12,19,29H,13-14H2,1H3/b24-11-/t19-/m0/s1
InChIKeyOZMQHSMOZLYKCR-MRKHCSQQSA-N
MW468.46 g/mol
LogP4.89
Rot. Bonds3

About (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124879027) has the molecular formula C28H20O7 and a molecular weight of 468.46 g/mol. Its IUPAC name is (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID124879027
Molecular FormulaC28H20O7
Molecular Weight468.46 g/mol
Exact Mass468.12
IUPAC Name(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)C2=O)cc1O
InChIInChI=1S/C28H20O7/c1-32-22-8-6-15(10-20(22)29)11-24-27(31)18-7-9-23-26(28(18)35-24)19(13-25(30)34-23)17-12-16-4-2-3-5-21(16)33-14-17/h2-12,19,29H,13-14H2,1H3/b24-11-/t19-/m0/s1
InChIKeyOZMQHSMOZLYKCR-MRKHCSQQSA-N
XLogP4.89
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.89
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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Related Compounds

(2Z)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206306
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252728
(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564953
(2Z,9S)-2-benzylidene-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124875185
(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206129
2-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-(2-methylpropyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163090727
(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878935
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252858
2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162880920
(2E,9S)-2-benzylidene-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877012
(2Z,9S)-9-(4-hydroxy-3-methoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122258
methyl 2-[2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetate
CID 127252706

Frequently Asked Questions

What is the IUPAC name of (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124879027) is (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)C2=O)cc1O.
What is the InChIKey of (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is OZMQHSMOZLYKCR-MRKHCSQQSA-N. The full InChI is InChI=1S/C28H20O7/c1-32-22-8-6-15(10-20(22)29)11-24-27(31)18-7-9-23-26(28(18)35-24)19(13-25(30)34-23)17-12-16-4-2-3-5-21(16)33-14-17/h2-12,19,29H,13-14H2,1H3/b24-11-/t19-/m0/s1.
What are the key properties of (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 468.46 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124879027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).