2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C36H32O9 — CID 163072101

IUPAC2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(CCOc2c(OC)cccc2C2CC(=O)Oc3ccc4c(c32)OC(=Cc2cccc(OC)c2OC)C4=O)cc1
InChIInChI=1S/C36H32O9/c1-39-23-13-11-21(12-14-23)17-18-43-35-24(8-6-10-29(35)41-3)26-20-31(37)44-27-16-15-25-33(38)30(45-36(25)32(26)27)19-22-7-5-9-28(40-2)34(22)42-4/h5-16,19,26H,17-18,20H2,1-4H3
InChIKeyBYSCBPAAVWUCCU-UHFFFAOYSA-N
MW608.64 g/mol
LogP6.40
Rot. Bonds10

About 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 163072101) has the molecular formula C36H32O9 and a molecular weight of 608.64 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID163072101
Molecular FormulaC36H32O9
Molecular Weight608.64 g/mol
Exact Mass608.20
IUPAC Name2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc(CCOc2c(OC)cccc2C2CC(=O)Oc3ccc4c(c32)OC(=Cc2cccc(OC)c2OC)C4=O)cc1
InChIInChI=1S/C36H32O9/c1-39-23-13-11-21(12-14-23)17-18-43-35-24(8-6-10-29(35)41-3)26-20-31(37)44-27-16-15-25-33(38)30(45-36(25)32(26)27)19-22-7-5-9-28(40-2)34(22)42-4/h5-16,19,26H,17-18,20H2,1-4H3
InChIKeyBYSCBPAAVWUCCU-UHFFFAOYSA-N
XLogP6.40
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.64
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 163072101) is 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(CCOc2c(OC)cccc2C2CC(=O)Oc3ccc4c(c32)OC(=Cc2cccc(OC)c2OC)C4=O)cc1.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is BYSCBPAAVWUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O9/c1-39-23-13-11-21(12-14-23)17-18-43-35-24(8-6-10-29(35)41-3)26-20-31(37)44-27-16-15-25-33(38)30(45-36(25)32(26)27)19-22-7-5-9-28(40-2)34(22)42-4/h5-16,19,26H,17-18,20H2,1-4H3.
What are the key properties of 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 608.64 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 163072101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).