silyl 2-[4-(2-oxopropyl)phenyl]acetate

C11H14O3Si — CID 137327494

IUPACsilyl 2-[4-(2-oxopropyl)phenyl]acetate
SMILESCC(=O)Cc1ccc(CC(=O)O[SiH3])cc1
InChIInChI=1S/C11H14O3Si/c1-8(12)6-9-2-4-10(5-3-9)7-11(13)14-15/h2-5H,6-7H2,1,15H3
InChIKeyGTPMUEFZXWQIPK-UHFFFAOYSA-N
MW222.32 g/mol
LogP0.18
Rot. Bonds4

About silyl 2-[4-(2-oxopropyl)phenyl]acetate

silyl 2-[4-(2-oxopropyl)phenyl]acetate (PubChem CID 137327494) has the molecular formula C11H14O3Si and a molecular weight of 222.32 g/mol. Its IUPAC name is silyl 2-[4-(2-oxopropyl)phenyl]acetate.

Molecular Properties

Compound Namesilyl 2-[4-(2-oxopropyl)phenyl]acetate
PubChem CID137327494
Molecular FormulaC11H14O3Si
Molecular Weight222.32 g/mol
Exact Mass222.07
IUPAC Namesilyl 2-[4-(2-oxopropyl)phenyl]acetate
SMILESCC(=O)Cc1ccc(CC(=O)O[SiH3])cc1
InChIInChI=1S/C11H14O3Si/c1-8(12)6-9-2-4-10(5-3-9)7-11(13)14-15/h2-5H,6-7H2,1,15H3
InChIKeyGTPMUEFZXWQIPK-UHFFFAOYSA-N
XLogP0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze silyl 2-[4-(2-oxopropyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
benzene;1-phenylpropan-2-one
CID 21430852
1-(4-propylphenyl)propan-2-one
CID 82490574
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
1-[4-(ethoxymethyl)phenyl]propan-2-one
CID 83878087
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
[4-(2-oxopropyl)phenyl]boronic acid
CID 74788275
[4-(2-oxopropyl)phenyl] carbonochloridate
CID 115496228

Frequently Asked Questions

What is the IUPAC name of silyl 2-[4-(2-oxopropyl)phenyl]acetate?
The IUPAC name of silyl 2-[4-(2-oxopropyl)phenyl]acetate (CID 137327494) is silyl 2-[4-(2-oxopropyl)phenyl]acetate.
What is the SMILES notation for silyl 2-[4-(2-oxopropyl)phenyl]acetate?
The canonical SMILES for silyl 2-[4-(2-oxopropyl)phenyl]acetate is CC(=O)Cc1ccc(CC(=O)O[SiH3])cc1.
What is the InChIKey of silyl 2-[4-(2-oxopropyl)phenyl]acetate?
The InChIKey is GTPMUEFZXWQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3Si/c1-8(12)6-9-2-4-10(5-3-9)7-11(13)14-15/h2-5H,6-7H2,1,15H3.
What are the key properties of silyl 2-[4-(2-oxopropyl)phenyl]acetate?
silyl 2-[4-(2-oxopropyl)phenyl]acetate has a molecular weight of 222.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-[4-(2-oxopropyl)phenyl]acetate is sourced from PubChem (CID 137327494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).