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

C25H36FNO2Si — CID 22011987

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1CO)C(O[Si](C)(C)C(C)(C)C)CCC2
InChIInChI=1S/C25H36FNO2Si/c1-16(2)24-19(15-28)22(17-11-13-18(26)14-12-17)23-20(27-24)9-8-10-21(23)29-30(6,7)25(3,4)5/h11-14,16,21,28H,8-10,15H2,1-7H3
InChIKeyWCIKGKMIYVADGT-UHFFFAOYSA-N
MW429.65 g/mol
LogP6.90
Rot. Bonds5

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

[5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol (PubChem CID 22011987) has the molecular formula C25H36FNO2Si and a molecular weight of 429.65 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]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]methanol
PubChem CID22011987
Molecular FormulaC25H36FNO2Si
Molecular Weight429.65 g/mol
Exact Mass429.25
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1CO)C(O[Si](C)(C)C(C)(C)C)CCC2
InChIInChI=1S/C25H36FNO2Si/c1-16(2)24-19(15-28)22(17-11-13-18(26)14-12-17)23-20(27-24)9-8-10-21(23)29-30(6,7)25(3,4)5/h11-14,16,21,28H,8-10,15H2,1-7H3
InChIKeyWCIKGKMIYVADGT-UHFFFAOYSA-N
XLogP6.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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]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]methanol (CID 22011987) is [5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]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]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]methanol is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1CO)C(O[Si](C)(C)C(C)(C)C)CCC2.
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]methanol?
The InChIKey is WCIKGKMIYVADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FNO2Si/c1-16(2)24-19(15-28)22(17-11-13-18(26)14-12-17)23-20(27-24)9-8-10-21(23)29-30(6,7)25(3,4)5/h11-14,16,21,28H,8-10,15H2,1-7H3.
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]methanol?
[5-[tert-butyl(dimethyl)silyl]oxy-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-yl]methanol has a molecular weight of 429.65 g/mol, XLogP of 6.90, 5 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]methanol is sourced from PubChem (CID 22011987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).