(2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C29H23NO6 — CID 124879128

IUPAC(2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccccc23)C4=O)c(OC)c1
InChIInChI=1S/C29H23NO6/c1-30-15-16(18-6-4-5-7-22(18)30)12-25-28(32)20-10-11-23-27(29(20)36-25)21(14-26(31)35-23)19-9-8-17(33-2)13-24(19)34-3/h4-13,15,21H,14H2,1-3H3/b25-12-/t21-/m1/s1
InChIKeyPUZMUQIEKZWYPF-NJCFKQHQSA-N
MW481.50 g/mol
LogP5.25
Rot. Bonds4

About (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124879128) has the molecular formula C29H23NO6 and a molecular weight of 481.50 g/mol. Its IUPAC name is (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID124879128
Molecular FormulaC29H23NO6
Molecular Weight481.50 g/mol
Exact Mass481.15
IUPAC Name(2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccccc23)C4=O)c(OC)c1
InChIInChI=1S/C29H23NO6/c1-30-15-16(18-6-4-5-7-22(18)30)12-25-28(32)20-10-11-23-27(29(20)36-25)21(14-26(31)35-23)19-9-8-17(33-2)13-24(19)34-3/h4-13,15,21H,14H2,1-3H3/b25-12-/t21-/m1/s1
InChIKeyPUZMUQIEKZWYPF-NJCFKQHQSA-N
XLogP5.25
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 55.25
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

(2Z,9S)-9-(2,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123364
(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122631
(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122831
9-(3-hydroxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163077928
(2Z,9R)-9-(3-hydroxy-4-methoxyphenyl)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122614
(2Z,9R)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876615
(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876614
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-[3-[(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
CID 125122743
(2Z,9S)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99997753
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,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616

Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124879128) is (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccccc23)C4=O)c(OC)c1.
What is the InChIKey of (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is PUZMUQIEKZWYPF-NJCFKQHQSA-N. The full InChI is InChI=1S/C29H23NO6/c1-30-15-16(18-6-4-5-7-22(18)30)12-25-28(32)20-10-11-23-27(29(20)36-25)21(14-26(31)35-23)19-9-8-17(33-2)13-24(19)34-3/h4-13,15,21H,14H2,1-3H3/b25-12-/t21-/m1/s1.
What are the key properties of (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 481.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124879128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).