bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane

C65H85N3O14 — CID 170732880

About bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane

bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane (PubChem CID 170732880) has the molecular formula C65H85N3O14 and a molecular weight of 1132.40 g/mol. Its IUPAC name is bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane.

Molecular Properties

• Compound Name: bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane
• PubChem CID: 170732880
• Molecular Formula: C65H85N3O14
• Molecular Weight: 1132.40 g/mol
• Exact Mass: 1131.60
• IUPAC Name: bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane
• SMILES: C=O.CCC.CN.CNCCOCCOCCC(N)=O.COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)CCC3c2ccccc2)cc1.COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)CCC3c2ccccc2)cc1
• InChI: InChI=1S/2C26H26O5.C8H18N2O3.C3H8.CH5N.CH2O/c2*1-28-19-11-9-18(10-12-19)26-21(17-7-5-4-6-8-17)13-14-25(26,27)24-22(30-3)15-20(29-2)16-23(24)31-26;1-10-3-5-13-7-6-12-4-2-8(9)11;1-3-2;2*1-2/h2*4-12,15-16,21,27H,13-14H2,1-3H3;10H,2-7H2,1H3,(H2,9,11);3H2,1-2H3;2H2,1H3;1H2
• InChIKey: JZLWCAQDCQIFDI-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 230.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.40
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane?

The IUPAC name of bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane (CID 170732880) is bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane.

What is the SMILES notation for bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane?

The canonical SMILES for bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane is C=O.CCC.CN.CNCCOCCOCCC(N)=O.COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)CCC3c2ccccc2)cc1.COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)CCC3c2ccccc2)cc1.

What is the InChIKey of bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane?

The InChIKey is JZLWCAQDCQIFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26O5.C8H18N2O3.C3H8.CH5N.CH2O/c2*1-28-19-11-9-18(10-12-19)26-21(17-7-5-4-6-8-17)13-14-25(26,27)24-22(30-3)15-20(29-2)16-23(24)31-26;1-10-3-5-13-7-6-12-4-2-8(9)11;1-3-2;2*1-2/h2*4-12,15-16,21,27H,13-14H2,1-3H3;10H,2-7H2,1H3,(H2,9,11);3H2,1-2H3;2H2,1H3;1H2.

What are the key properties of bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane?

bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane has a molecular weight of 1132.40 g/mol, XLogP of 9.45, 19 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol);formaldehyde;methanamine;3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;propane is sourced from PubChem (CID 170732880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).