1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol

C16H20N2O3 — CID 115349938

About 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol

1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 115349938) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

• Compound Name: 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol
• PubChem CID: 115349938
• Molecular Formula: C16H20N2O3
• Molecular Weight: 288.35 g/mol
• Exact Mass: 288.15
• IUPAC Name: 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol
• SMILES: COc1cc2c(cc1C(O)Cc1nccn1C)OC(C)C2
• InChI: InChI=1S/C16H20N2O3/c1-10-6-11-7-15(20-3)12(8-14(11)21-10)13(19)9-16-17-4-5-18(16)2/h4-5,7-8,10,13,19H,6,9H2,1-3H3
• InChIKey: JWLDHGMEDNVHKT-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 56.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.35
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol?

The IUPAC name of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol (CID 115349938) is 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol.

What is the SMILES notation for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol?

The canonical SMILES for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol is COc1cc2c(cc1C(O)Cc1nccn1C)OC(C)C2.

What is the InChIKey of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol?

The InChIKey is JWLDHGMEDNVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-6-11-7-15(20-3)12(8-14(11)21-10)13(19)9-16-17-4-5-18(16)2/h4-5,7-8,10,13,19H,6,9H2,1-3H3.

What are the key properties of 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol?

1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 288.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 115349938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).