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

C26H20O6 — CID 99996616

IUPAC(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OC)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C26H20O6/c1-29-16-9-7-15(8-10-16)13-22-25(28)18-11-12-21-24(26(18)32-22)19(14-23(27)31-21)17-5-3-4-6-20(17)30-2/h3-13,19H,14H2,1-2H3/b22-13-/t19-/m1/s1
InChIKeyNQRYIOZJFVFIMT-UUMRFZBWSA-N
MW428.44 g/mol
LogP4.76
Rot. Bonds4

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

(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99996616) has the molecular formula C26H20O6 and a molecular weight of 428.44 g/mol. Its IUPAC name is (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID99996616
Molecular FormulaC26H20O6
Molecular Weight428.44 g/mol
Exact Mass428.13
IUPAC Name(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OC)CC(=O)O4)C2=O)cc1
InChIInChI=1S/C26H20O6/c1-29-16-9-7-15(8-10-16)13-22-25(28)18-11-12-21-24(26(18)32-22)19(14-23(27)31-21)17-5-3-4-6-20(17)30-2/h3-13,19H,14H2,1-2H3/b22-13-/t19-/m1/s1
InChIKeyNQRYIOZJFVFIMT-UUMRFZBWSA-N
XLogP4.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162879710
2-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetic acid
CID 91638116
2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162945458
(2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99993684
(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
(2E,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991304
(2Z,9S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122742
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
(2E)-9-(6-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564708
(2E,9S)-9-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99998274
4-[2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]benzoic acid
CID 163024314

Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99996616) is (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OC)CC(=O)O4)C2=O)cc1.
What is the InChIKey of (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is NQRYIOZJFVFIMT-UUMRFZBWSA-N. The full InChI is InChI=1S/C26H20O6/c1-29-16-9-7-15(8-10-16)13-22-25(28)18-11-12-21-24(26(18)32-22)19(14-23(27)31-21)17-5-3-4-6-20(17)30-2/h3-13,19H,14H2,1-2H3/b22-13-/t19-/m1/s1.
What are the key properties of (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 428.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99996616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).