(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one

C18H21NO2Si — CID 124628887

IUPAC(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
SMILESC[Si](C)(C)CN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C18H21NO2Si/c1-22(2,3)13-19-17(20)15-11-7-8-12-16(15)18(19,21)14-9-5-4-6-10-14/h4-12,21H,13H2,1-3H3/t18-/m0/s1
InChIKeyOEJXWGUNFGNNGO-SFHVURJKSA-N
MW311.46 g/mol
LogP3.21
Rot. Bonds3

About (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one

(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one (PubChem CID 124628887) has the molecular formula C18H21NO2Si and a molecular weight of 311.46 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
PubChem CID124628887
Molecular FormulaC18H21NO2Si
Molecular Weight311.46 g/mol
Exact Mass311.13
IUPAC Name(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one
SMILESC[Si](C)(C)CN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C18H21NO2Si/c1-22(2,3)13-19-17(20)15-11-7-8-12-16(15)18(19,21)14-9-5-4-6-10-14/h4-12,21H,13H2,1-3H3/t18-/m0/s1
InChIKeyOEJXWGUNFGNNGO-SFHVURJKSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3-hydroxy-3-phenylisoindol-1-one
CID 4086644
2-(3-bromopropyl)-3-hydroxy-3-phenylisoindol-1-one
CID 14592326
(3R)-3-hydroxy-2-methyl-3-phenylisoindol-1-one
CID 848840
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880
3-hydroxy-2-[(4-nitrophenyl)methyl]-3-phenylisoindol-1-one
CID 51349702
3-hydroxy-3-(4-methylphenyl)-2-prop-2-enylisoindol-1-one
CID 2841309
(3R)-3-hydroxy-2-(4-methylphenyl)-3-phenylisoindol-1-one
CID 7000102
2-dodecyl-1-hydroxy-1-phenylpyrrolo[3,4-c]pyridin-3-one
CID 56597352
3-hydroxy-2-(4-methylcyclohexyl)-3-phenylisoindol-1-one
CID 5305502
1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
CID 56695228
3-hydroxy-2-(4-iodophenyl)-3-phenylisoindol-1-one
CID 4247568
2-[(2-benzoylphenyl)methyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
CID 118596981

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one?
The IUPAC name of (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one (CID 124628887) is (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one.
What is the SMILES notation for (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one?
The canonical SMILES for (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one is C[Si](C)(C)CN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one?
The InChIKey is OEJXWGUNFGNNGO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO2Si/c1-22(2,3)13-19-17(20)15-11-7-8-12-16(15)18(19,21)14-9-5-4-6-10-14/h4-12,21H,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one?
(3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one has a molecular weight of 311.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one is sourced from PubChem (CID 124628887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).