(4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one

C34H25NO10 — CID 155543305

About (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one

(4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one (PubChem CID 155543305) has the molecular formula C34H25NO10 and a molecular weight of 607.57 g/mol. Its IUPAC name is (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one.

Molecular Properties

• Compound Name: (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one
• PubChem CID: 155543305
• Molecular Formula: C34H25NO10
• Molecular Weight: 607.57 g/mol
• Exact Mass: 607.15
• IUPAC Name: (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one
• SMILES: COc1cc(C2Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3OC2/C=C2/C(=O)ONC2c2ccccc2)ccc1O
• InChI: InChI=1S/C34H25NO10/c1-41-27-12-19(7-9-22(27)37)33-30(15-21-32(35-45-34(21)40)17-5-3-2-4-6-17)42-25-10-8-18(11-28(25)44-33)26-16-24(39)31-23(38)13-20(36)14-29(31)43-26/h2-16,30,32-33,35-38H,1H3/b21-15+
• InChIKey: OZGOOWAPICJJAX-RCCKNPSSSA-N
• XLogP: 5.20
• TPSA: 156.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	607.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one?

The IUPAC name of (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one (CID 155543305) is (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one.

What is the SMILES notation for (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one?

The canonical SMILES for (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one is COc1cc(C2Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3OC2/C=C2/C(=O)ONC2c2ccccc2)ccc1O.

What is the InChIKey of (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one?

The InChIKey is OZGOOWAPICJJAX-RCCKNPSSSA-N. The full InChI is InChI=1S/C34H25NO10/c1-41-27-12-19(7-9-22(27)37)33-30(15-21-32(35-45-34(21)40)17-5-3-2-4-6-17)42-25-10-8-18(11-28(25)44-33)26-16-24(39)31-23(38)13-20(36)14-29(31)43-26/h2-16,30,32-33,35-38H,1H3/b21-15+.

What are the key properties of (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one?

(4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one has a molecular weight of 607.57 g/mol, XLogP of 5.20, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-4-[[6-(5,7-dihydroxy-4-oxochromen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methylidene]-3-phenyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 155543305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).