(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol

C24H31NO2Si — CID 21356544

IUPAC(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol
SMILESCc1cc2cccc([C@H](O)CO[Si](C)(C)C(C)(C)C)c2nc1-c1ccccc1
InChIInChI=1S/C24H31NO2Si/c1-17-15-19-13-10-14-20(21(26)16-27-28(5,6)24(2,3)4)23(19)25-22(17)18-11-8-7-9-12-18/h7-15,21,26H,16H2,1-6H3/t21-/m1/s1
InChIKeyBQMKWGDPMAXHMC-OAQYLSRUSA-N
MW393.60 g/mol
LogP6.27
Rot. Bonds5

About (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol

(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol (PubChem CID 21356544) has the molecular formula C24H31NO2Si and a molecular weight of 393.60 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol
PubChem CID21356544
Molecular FormulaC24H31NO2Si
Molecular Weight393.60 g/mol
Exact Mass393.21
IUPAC Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol
SMILESCc1cc2cccc([C@H](O)CO[Si](C)(C)C(C)(C)C)c2nc1-c1ccccc1
InChIInChI=1S/C24H31NO2Si/c1-17-15-19-13-10-14-20(21(26)16-27-28(5,6)24(2,3)4)23(19)25-22(17)18-11-8-7-9-12-18/h7-15,21,26H,16H2,1-6H3/t21-/m1/s1
InChIKeyBQMKWGDPMAXHMC-OAQYLSRUSA-N
XLogP6.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.60
LogP ≤ 56.27
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 (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol?
The IUPAC name of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol (CID 21356544) is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol.
What is the SMILES notation for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol?
The canonical SMILES for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol is Cc1cc2cccc([C@H](O)CO[Si](C)(C)C(C)(C)C)c2nc1-c1ccccc1.
What is the InChIKey of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol?
The InChIKey is BQMKWGDPMAXHMC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31NO2Si/c1-17-15-19-13-10-14-20(21(26)16-27-28(5,6)24(2,3)4)23(19)25-22(17)18-11-8-7-9-12-18/h7-15,21,26H,16H2,1-6H3/t21-/m1/s1.
What are the key properties of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol?
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol has a molecular weight of 393.60 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3-methyl-2-phenylquinolin-8-yl)ethanol is sourced from PubChem (CID 21356544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).