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

C30H29NO6 — CID 124879512

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

5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one (PubChem CID 124879512) has the molecular formula C30H29NO6 and a molecular weight of 499.56 g/mol. Its IUPAC name is 5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one.

Molecular Properties

• Compound Name: 5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
• PubChem CID: 124879512
• Molecular Formula: C30H29NO6
• Molecular Weight: 499.56 g/mol
• Exact Mass: 499.20
• IUPAC Name: 5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one
• SMILES: COc1ccccc1[C@@H](CC(=O)N1CCCCC1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
• InChI: InChI=1S/C30H29NO6/c1-36-25-13-7-6-12-20(25)21(16-27(35)31-14-8-3-9-15-31)28-22(32)17-23(33)29-24(34)18-26(37-30(28)29)19-10-4-2-5-11-19/h2,4-7,10-13,17-18,21,32-33H,3,8-9,14-16H2,1H3/t21-/m1/s1
• InChIKey: UERLFXSLDYZDOE-OAQYLSRUSA-N
• XLogP: 5.41
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.56
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one (CID 124879512) is 5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one.

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

The canonical SMILES for 5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one is COc1ccccc1[C@@H](CC(=O)N1CCCCC1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12.

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

The InChIKey is UERLFXSLDYZDOE-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H29NO6/c1-36-25-13-7-6-12-20(25)21(16-27(35)31-14-8-3-9-15-31)28-22(32)17-23(33)29-24(34)18-26(37-30(28)29)19-10-4-2-5-11-19/h2,4-7,10-13,17-18,21,32-33H,3,8-9,14-16H2,1H3/t21-/m1/s1.

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

5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one has a molecular weight of 499.56 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-8-[(1R)-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-2-phenylchromen-4-one is sourced from PubChem (CID 124879512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).