(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone

C16H17ClOSSi — CID 19861228

IUPAC(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone
SMILESC[Si](C)(C)Sc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClOSSi/c1-20(2,3)19-15-10-6-13(7-11-15)16(18)12-4-8-14(17)9-5-12/h4-11H,1-3H3
InChIKeyJIVHLUZWIHTSNU-UHFFFAOYSA-N
MW320.92 g/mol
LogP5.50
Rot. Bonds4

About (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone

(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone (PubChem CID 19861228) has the molecular formula C16H17ClOSSi and a molecular weight of 320.92 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone
PubChem CID19861228
Molecular FormulaC16H17ClOSSi
Molecular Weight320.92 g/mol
Exact Mass320.05
IUPAC Name(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone
SMILESC[Si](C)(C)Sc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClOSSi/c1-20(2,3)19-15-10-6-13(7-11-15)16(18)12-4-8-14(17)9-5-12/h4-11H,1-3H3
InChIKeyJIVHLUZWIHTSNU-UHFFFAOYSA-N
XLogP5.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.92
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone 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

(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 115604683
4-(4-chlorobenzoyl)benzaldehyde
CID 12925059
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
(4-chlorophenyl)-[4-(2-sulfanylpropan-2-yl)phenyl]methanone
CID 18779865
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
bis[4-[chloro(dimethyl)silyl]phenyl]methanone
CID 14093541
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone (CID 19861228) is (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone is C[Si](C)(C)Sc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone?
The InChIKey is JIVHLUZWIHTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOSSi/c1-20(2,3)19-15-10-6-13(7-11-15)16(18)12-4-8-14(17)9-5-12/h4-11H,1-3H3.
What are the key properties of (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone?
(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone has a molecular weight of 320.92 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone is sourced from PubChem (CID 19861228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).