5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde

C60H64O18 — CID 22971910

About 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde

5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde (PubChem CID 22971910) has the molecular formula C60H64O18 and a molecular weight of 1073.15 g/mol. Its IUPAC name is 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde.

Molecular Properties

• Compound Name: 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde
• PubChem CID: 22971910
• Molecular Formula: C60H64O18
• Molecular Weight: 1073.15 g/mol
• Exact Mass: 1072.41
• IUPAC Name: 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde
• SMILES: COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(C=O)c1)C(OC)C2c1c(OC)cc(OC)c2c1OC(c1ccc(OC)c(C=O)c1)C(OC)C2c1c(OC)cc(OC)c2c1OC(c1ccc(OC)c(OC)c1)C(OC)C2
• InChI: InChI=1S/C60H64O18/c1-63-35-23-42(69-7)48-46(24-35)76-55(30-14-17-37(64-2)33(20-30)28-61)59(74-12)52(48)50-44(71-9)27-45(72-10)51-53(60(75-13)56(78-58(50)51)31-15-18-38(65-3)34(21-31)29-62)49-43(70-8)26-40(67-5)36-25-47(73-11)54(77-57(36)49)32-16-19-39(66-4)41(22-32)68-6/h14-24,26-29,47,52-56,59-60H,25H2,1-13H3
• InChIKey: SHVVWNUMVXIDST-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 181.82 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.15
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde?

The IUPAC name of 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde (CID 22971910) is 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde.

What is the SMILES notation for 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde?

The canonical SMILES for 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde is COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(C=O)c1)C(OC)C2c1c(OC)cc(OC)c2c1OC(c1ccc(OC)c(C=O)c1)C(OC)C2c1c(OC)cc(OC)c2c1OC(c1ccc(OC)c(OC)c1)C(OC)C2.

What is the InChIKey of 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde?

The InChIKey is SHVVWNUMVXIDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64O18/c1-63-35-23-42(69-7)48-46(24-35)76-55(30-14-17-37(64-2)33(20-30)28-61)59(74-12)52(48)50-44(71-9)27-45(72-10)51-53(60(75-13)56(78-58(50)51)31-15-18-38(65-3)34(21-31)29-62)49-43(70-8)26-40(67-5)36-25-47(73-11)54(77-57(36)49)32-16-19-39(66-4)41(22-32)68-6/h14-24,26-29,47,52-56,59-60H,25H2,1-13H3.

What are the key properties of 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde?

5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde has a molecular weight of 1073.15 g/mol, XLogP of 9.65, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde is sourced from PubChem (CID 22971910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).