5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one

C32H27NO7 — CID 124876617

About 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one

5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one (PubChem CID 124876617) has the molecular formula C32H27NO7 and a molecular weight of 537.57 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
• PubChem CID: 124876617
• Molecular Formula: C32H27NO7
• Molecular Weight: 537.57 g/mol
• Exact Mass: 537.18
• IUPAC Name: 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
• SMILES: O=C(C[C@@H](c1coc2ccccc2c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCCCC1
• InChI: InChI=1S/C32H27NO7/c34-23-16-24(35)30-25(36)17-27(19-9-3-1-4-10-19)40-32(30)29(23)21(15-28(37)33-13-7-2-8-14-33)22-18-39-26-12-6-5-11-20(26)31(22)38/h1,3-6,9-12,16-18,21,34-35H,2,7-8,13-15H2/t21-/m0/s1
• InChIKey: GKJCDGRWGHCELM-NRFANRHFSA-N
• XLogP: 5.51
• TPSA: 121.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.57
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?

The IUPAC name of 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one (CID 124876617) is 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one.

What is the SMILES notation for 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?

The canonical SMILES for 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one is O=C(C[C@@H](c1coc2ccccc2c1=O)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12)N1CCCCC1.

What is the InChIKey of 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?

The InChIKey is GKJCDGRWGHCELM-NRFANRHFSA-N. The full InChI is InChI=1S/C32H27NO7/c34-23-16-24(35)30-25(36)17-27(19-9-3-1-4-10-19)40-32(30)29(23)21(15-28(37)33-13-7-2-8-14-33)22-18-39-26-12-6-5-11-20(26)31(22)38/h1,3-6,9-12,16-18,21,34-35H,2,7-8,13-15H2/t21-/m0/s1.

What are the key properties of 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one?

5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one has a molecular weight of 537.57 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-8-[(1R)-3-oxo-1-(4-oxochromen-3-yl)-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one is sourced from PubChem (CID 124876617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).