2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol

C30H34O6 — CID 162462128

About 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol

2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol (PubChem CID 162462128) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
• PubChem CID: 162462128
• Molecular Formula: C30H34O6
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.24
• IUPAC Name: 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol
• SMILES: CCCc1cc(OC)c2c(c1)C(C)C(c1cc(OC)c3c(c1)C(C)C(c1ccc(O)c(OC)c1)O3)O2
• InChI: InChI=1S/C30H34O6/c1-7-8-18-11-21-16(2)28(36-29(21)25(12-18)33-5)20-13-22-17(3)27(35-30(22)26(15-20)34-6)19-9-10-23(31)24(14-19)32-4/h9-17,27-28,31H,7-8H2,1-6H3
• InChIKey: IGAMILJVXTZENC-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol?

The IUPAC name of 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol (CID 162462128) is 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol.

What is the SMILES notation for 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol?

The canonical SMILES for 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol is CCCc1cc(OC)c2c(c1)C(C)C(c1cc(OC)c3c(c1)C(C)C(c1ccc(O)c(OC)c1)O3)O2.

What is the InChIKey of 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol?

The InChIKey is IGAMILJVXTZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-7-8-18-11-21-16(2)28(36-29(21)25(12-18)33-5)20-13-22-17(3)27(35-30(22)26(15-20)34-6)19-9-10-23(31)24(14-19)32-4/h9-17,27-28,31H,7-8H2,1-6H3.

What are the key properties of 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol?

2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol has a molecular weight of 490.60 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-4-[7-methoxy-5-(7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 162462128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).