[5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol

C32H39F4NO2Si — CID 22011968

About [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol

[5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol (PubChem CID 22011968) has the molecular formula C32H39F4NO2Si and a molecular weight of 573.75 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol.

Molecular Properties

• Compound Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol
• PubChem CID: 22011968
• Molecular Formula: C32H39F4NO2Si
• Molecular Weight: 573.75 g/mol
• Exact Mass: 573.27
• IUPAC Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol
• SMILES: Cc1c(F)cc(C(O)c2c(C(C)C)nc3c(c2-c2ccc(F)cc2)C(O[Si](C)(C)C(C)(C)C)CCC3)c(F)c1F
• InChI: InChI=1S/C32H39F4NO2Si/c1-17(2)30-27(31(38)21-16-22(34)18(3)28(35)29(21)36)25(19-12-14-20(33)15-13-19)26-23(37-30)10-9-11-24(26)39-40(7,8)32(4,5)6/h12-17,24,31,38H,9-11H2,1-8H3
• InChIKey: FUGLNPSHWQAEGH-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.75
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol?

The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol (CID 22011968) is [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol.

What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol?

The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol is Cc1c(F)cc(C(O)c2c(C(C)C)nc3c(c2-c2ccc(F)cc2)C(O[Si](C)(C)C(C)(C)C)CCC3)c(F)c1F.

What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol?

The InChIKey is FUGLNPSHWQAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F4NO2Si/c1-17(2)30-27(31(38)21-16-22(34)18(3)28(35)29(21)36)25(19-12-14-20(33)15-13-19)26-23(37-30)10-9-11-24(26)39-40(7,8)32(4,5)6/h12-17,24,31,38H,9-11H2,1-8H3.

What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol?

[5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol has a molecular weight of 573.75 g/mol, XLogP of 9.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]-(2,3,5-trifluoro-4-methylphenyl)methanol is sourced from PubChem (CID 22011968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).