(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

C29H23NO7 — CID 125122614

IUPAC(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
SMILESCOc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3ccc(OC)c(O)c3)CC(=O)O4)C1=O)cn2C
InChIInChI=1S/C29H23NO7/c1-30-14-16(19-12-17(34-2)5-7-21(19)30)11-25-28(33)18-6-9-24-27(29(18)37-25)20(13-26(32)36-24)15-4-8-23(35-3)22(31)10-15/h4-12,14,20,31H,13H2,1-3H3/b25-11-/t20-/m1/s1
InChIKeyMHYDNCVVMHIDNQ-VGHSNCDSSA-N
MW497.50 g/mol
LogP4.96
Rot. Bonds4

About (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

(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 (PubChem CID 125122614) has the molecular formula C29H23NO7 and a molecular weight of 497.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125122614
Molecular FormulaC29H23NO7
Molecular Weight497.50 g/mol
Exact Mass497.15
IUPAC Name(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
SMILESCOc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3ccc(OC)c(O)c3)CC(=O)O4)C1=O)cn2C
InChIInChI=1S/C29H23NO7/c1-30-14-16(19-12-17(34-2)5-7-21(19)30)11-25-28(33)18-6-9-24-27(29(18)37-25)20(13-26(32)36-24)15-4-8-23(35-3)22(31)10-15/h4-12,14,20,31H,13H2,1-3H3/b25-11-/t20-/m1/s1
InChIKeyMHYDNCVVMHIDNQ-VGHSNCDSSA-N
XLogP4.96
TPSA96.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
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

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,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879128
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252728
(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,9S)-2-benzylidene-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124875185
(2Z,9R)-2-[(2,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125429256
9-(3-hydroxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163077928
(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
2-(furan-2-ylmethylidene)-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162880920
(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
(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
9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163027253

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3ccc(OC)c(O)c3)CC(=O)O4)C1=O)cn2C.
What is the InChIKey of (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?
The InChIKey is MHYDNCVVMHIDNQ-VGHSNCDSSA-N. The full InChI is InChI=1S/C29H23NO7/c1-30-14-16(19-12-17(34-2)5-7-21(19)30)11-25-28(33)18-6-9-24-27(29(18)37-25)20(13-26(32)36-24)15-4-8-23(35-3)22(31)10-15/h4-12,14,20,31H,13H2,1-3H3/b25-11-/t20-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 497.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125122614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).