2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol

C24H28O4 — CID 162887431

About 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol

2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol (PubChem CID 162887431) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol.

Molecular Properties

• Compound Name: 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol
• PubChem CID: 162887431
• Molecular Formula: C24H28O4
• Molecular Weight: 380.48 g/mol
• Exact Mass: 380.20
• IUPAC Name: 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol
• SMILES: CC(C)=CCCC(C)=CCc1c(O)cc(C2Cc3ccc(O)cc3O2)cc1O
• InChI: InChI=1S/C24H28O4/c1-15(2)5-4-6-16(3)7-10-20-21(26)11-18(12-22(20)27)23-13-17-8-9-19(25)14-24(17)28-23/h5,7-9,11-12,14,23,25-27H,4,6,10,13H2,1-3H3
• InChIKey: NZZREFWQKGVNJR-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 69.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.48
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol?

The IUPAC name of 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol (CID 162887431) is 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol.

What is the SMILES notation for 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol?

The canonical SMILES for 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol is CC(C)=CCCC(C)=CCc1c(O)cc(C2Cc3ccc(O)cc3O2)cc1O.

What is the InChIKey of 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol?

The InChIKey is NZZREFWQKGVNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-15(2)5-4-6-16(3)7-10-20-21(26)11-18(12-22(20)27)23-13-17-8-9-19(25)14-24(17)28-23/h5,7-9,11-12,14,23,25-27H,4,6,10,13H2,1-3H3.

What are the key properties of 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol?

2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol has a molecular weight of 380.48 g/mol, XLogP of 5.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-2,3-dihydro-1-benzofuran-2-yl)benzene-1,3-diol is sourced from PubChem (CID 162887431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).