2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol

C25H29NO3 — CID 143029004

About 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol

2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol (PubChem CID 143029004) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
• PubChem CID: 143029004
• Molecular Formula: C25H29NO3
• Molecular Weight: 391.51 g/mol
• Exact Mass: 391.21
• IUPAC Name: 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol
• SMILES: CCc1cc(-c2ccc3c(c2)OCC3)cc2c3c([nH]c12)C(CC)(CCO)OCC3
• InChI: InChI=1S/C25H29NO3/c1-3-16-13-19(18-6-5-17-7-11-28-22(17)15-18)14-21-20-8-12-29-25(4-2,9-10-27)24(20)26-23(16)21/h5-6,13-15,26-27H,3-4,7-12H2,1-2H3
• InChIKey: GMLRTZSTWLYJPN-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 54.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.51
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?

The IUPAC name of 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol (CID 143029004) is 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol.

What is the SMILES notation for 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?

The canonical SMILES for 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol is CCc1cc(-c2ccc3c(c2)OCC3)cc2c3c([nH]c12)C(CC)(CCO)OCC3.

What is the InChIKey of 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?

The InChIKey is GMLRTZSTWLYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-3-16-13-19(18-6-5-17-7-11-28-22(17)15-18)14-21-20-8-12-29-25(4-2,9-10-27)24(20)26-23(16)21/h5-6,13-15,26-27H,3-4,7-12H2,1-2H3.

What are the key properties of 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol?

2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol has a molecular weight of 391.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,3-dihydro-1-benzofuran-6-yl)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanol is sourced from PubChem (CID 143029004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).