1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one

C13H20O2Si — CID 90365044

IUPAC1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(C[Si](C)(C)O)cc1
InChIInChI=1S/C13H20O2Si/c1-10(2)13(14)12-7-5-11(6-8-12)9-16(3,4)15/h5-8,10,15H,9H2,1-4H3
InChIKeyTYTWCCLQNNJXLY-UHFFFAOYSA-N
MW236.39 g/mol
LogP2.80
Rot. Bonds4

About 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one

1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one (PubChem CID 90365044) has the molecular formula C13H20O2Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one
PubChem CID90365044
Molecular FormulaC13H20O2Si
Molecular Weight236.39 g/mol
Exact Mass236.12
IUPAC Name1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(C[Si](C)(C)O)cc1
InChIInChI=1S/C13H20O2Si/c1-10(2)13(14)12-7-5-11(6-8-12)9-16(3,4)15/h5-8,10,15H,9H2,1-4H3
InChIKeyTYTWCCLQNNJXLY-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 52.80
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

3-methyl-1-[4-(2-methylpropanoyl)phenyl]butan-2-one
CID 135216998
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
4-methyl-1-[4-(2-methylpropanoyl)phenyl]pentan-3-one
CID 90089591
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
2-methyl-1-(4-octadecylphenyl)propan-1-one
CID 14770317
2-methyl-1-(4-sulfanylphenyl)propan-1-one
CID 13166665
2-methyl-3-[4-[[4-(2-methylpropanoyl)phenyl]methyl]phenyl]propanal
CID 175102071
2-methyl-1-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]propan-1-one
CID 94779815
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
2-methyl-1-[4-(pyridin-4-ylmethylamino)phenyl]propan-1-one
CID 95463722
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one
CID 57068095

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one (CID 90365044) is 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(C[Si](C)(C)O)cc1.
What is the InChIKey of 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one?
The InChIKey is TYTWCCLQNNJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-10(2)13(14)12-7-5-11(6-8-12)9-16(3,4)15/h5-8,10,15H,9H2,1-4H3.
What are the key properties of 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one?
1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one has a molecular weight of 236.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 90365044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).