8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one

C37H34O11 — CID 44559460

About 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one

8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one (PubChem CID 44559460) has the molecular formula C37H34O11 and a molecular weight of 654.67 g/mol. Its IUPAC name is 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one.

Molecular Properties

• Compound Name: 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
• PubChem CID: 44559460
• Molecular Formula: C37H34O11
• Molecular Weight: 654.67 g/mol
• Exact Mass: 654.21
• IUPAC Name: 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
• SMILES: COc1ccc([C@@H]2Oc3cc(OC)cc(OC)c3C(=O)[C@H]2c2c(OC)cc(OC)c3c(=O)cc(-c4ccc(OC)c(OC)c4)oc23)cc1
• InChI: InChI=1S/C37H34O11/c1-40-21-11-8-19(9-12-21)36-34(35(39)32-27(44-5)15-22(41-2)16-30(32)48-36)33-29(46-7)18-28(45-6)31-23(38)17-25(47-37(31)33)20-10-13-24(42-3)26(14-20)43-4/h8-18,34,36H,1-7H3/t34-,36+/m1/s1
• InChIKey: SWFCKFCZAFSAEF-VHFKIGOXSA-N
• XLogP: 6.62
• TPSA: 121.12 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	654.67
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one?

The IUPAC name of 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one (CID 44559460) is 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one.

What is the SMILES notation for 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one?

The canonical SMILES for 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one is COc1ccc([C@@H]2Oc3cc(OC)cc(OC)c3C(=O)[C@H]2c2c(OC)cc(OC)c3c(=O)cc(-c4ccc(OC)c(OC)c4)oc23)cc1.

What is the InChIKey of 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one?

The InChIKey is SWFCKFCZAFSAEF-VHFKIGOXSA-N. The full InChI is InChI=1S/C37H34O11/c1-40-21-11-8-19(9-12-21)36-34(35(39)32-27(44-5)15-22(41-2)16-30(32)48-36)33-29(46-7)18-28(45-6)31-23(38)17-25(47-37(31)33)20-10-13-24(42-3)26(14-20)43-4/h8-18,34,36H,1-7H3/t34-,36+/m1/s1.

What are the key properties of 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one?

8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one has a molecular weight of 654.67 g/mol, XLogP of 6.62, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 44559460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).