2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol

C55H58O16 — CID 162948976

About 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol

2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol (PubChem CID 162948976) has the molecular formula C55H58O16 and a molecular weight of 975.05 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol.

Molecular Properties

• Compound Name: 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol
• PubChem CID: 162948976
• Molecular Formula: C55H58O16
• Molecular Weight: 975.05 g/mol
• Exact Mass: 974.37
• IUPAC Name: 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol
• SMILES: COc1ccc(C2Oc3c4c(c(C5c6ccc(OC)cc6OC(c6ccc(OC)c(OC)c6)C5O)c(OC)c3C(c3ccc(OC)c(OC)c3)C2O)OC(c2ccc(OC)c(OC)c2)C(O)C4)c(OC)c1
• InChI: InChI=1S/C55H58O16/c1-59-30-15-17-33(39(24-30)64-6)54-48(57)44(27-11-18-36(61-3)41(21-27)65-7)46-52(71-54)34-26-35(56)50(28-12-19-37(62-4)42(22-28)66-8)70-53(34)47(55(46)68-10)45-32-16-14-31(60-2)25-40(32)69-51(49(45)58)29-13-20-38(63-5)43(23-29)67-9/h11-25,35,44-45,48-51,54,56-58H,26H2,1-10H3
• InChIKey: FNLFOANPWWISTP-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 180.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	975.05
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol?

The IUPAC name of 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol (CID 162948976) is 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol.

What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol?

The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol is COc1ccc(C2Oc3c4c(c(C5c6ccc(OC)cc6OC(c6ccc(OC)c(OC)c6)C5O)c(OC)c3C(c3ccc(OC)c(OC)c3)C2O)OC(c2ccc(OC)c(OC)c2)C(O)C4)c(OC)c1.

What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol?

The InChIKey is FNLFOANPWWISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58O16/c1-59-30-15-17-33(39(24-30)64-6)54-48(57)44(27-11-18-36(61-3)41(21-27)65-7)46-52(71-54)34-26-35(56)50(28-12-19-37(62-4)42(22-28)66-8)70-53(34)47(55(46)68-10)45-32-16-14-31(60-2)25-40(32)69-51(49(45)58)29-13-20-38(63-5)43(23-29)67-9/h11-25,35,44-45,48-51,54,56-58H,26H2,1-10H3.

What are the key properties of 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol?

2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol has a molecular weight of 975.05 g/mol, XLogP of 8.06, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol is sourced from PubChem (CID 162948976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).