ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride

C24H28ClNO4 — CID 139900656

About ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride

ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride (PubChem CID 139900656) has the molecular formula C24H28ClNO4 and a molecular weight of 429.94 g/mol. Its IUPAC name is ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride.

Molecular Properties

• Compound Name: ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride
• PubChem CID: 139900656
• Molecular Formula: C24H28ClNO4
• Molecular Weight: 429.94 g/mol
• Exact Mass: 429.17
• IUPAC Name: ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride
• SMILES: CCOC(=O)Oc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2.Cl
• InChI: InChI=1S/C24H27NO4.ClH/c1-6-27-22(26)28-18-12-16-13-23(2,3)25-20(15-10-8-7-9-11-15)19(16)17-14-24(4,5)29-21(17)18;/h7-12H,6,13-14H2,1-5H3;1H
• InChIKey: KWUWRQFPOSZNFS-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 57.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.94
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride?

The IUPAC name of ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride (CID 139900656) is ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride.

What is the SMILES notation for ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride?

The canonical SMILES for ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride is CCOC(=O)Oc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2.Cl.

What is the InChIKey of ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride?

The InChIKey is KWUWRQFPOSZNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4.ClH/c1-6-27-22(26)28-18-12-16-13-23(2,3)25-20(15-10-8-7-9-11-15)19(16)17-14-24(4,5)29-21(17)18;/h7-12H,6,13-14H2,1-5H3;1H.

What are the key properties of ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride?

ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride has a molecular weight of 429.94 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride is sourced from PubChem (CID 139900656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).