1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone

C16H15ClO2S — CID 64637447

IUPAC1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H15ClO2S/c1-11-3-8-16(12(2)9-11)20(19)10-15(18)13-4-6-14(17)7-5-13/h3-9H,10H2,1-2H3
InChIKeyYGRGVCYMKUBIKG-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone

1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone (PubChem CID 64637447) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
PubChem CID64637447
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H15ClO2S/c1-11-3-8-16(12(2)9-11)20(19)10-15(18)13-4-6-14(17)7-5-13/h3-9H,10H2,1-2H3
InChIKeyYGRGVCYMKUBIKG-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
3-(2,4-dimethylphenyl)sulfinyl-1-phenylpropan-1-one
CID 116694903
1-(2,4-dimethylphenyl)sulfinylpentan-2-one
CID 64637633
1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566477
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637812

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone (CID 64637447) is 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone is Cc1ccc(S(=O)CC(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone?
The InChIKey is YGRGVCYMKUBIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-11-3-8-16(12(2)9-11)20(19)10-15(18)13-4-6-14(17)7-5-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone?
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone has a molecular weight of 306.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone is sourced from PubChem (CID 64637447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).