2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone

C16H15ClO3S — CID 1483853

IUPAC2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)CS(=O)c2ccc(Cl)cc2)cc(C)c1O
InChIInChI=1S/C16H15ClO3S/c1-10-7-12(8-11(2)16(10)19)15(18)9-21(20)14-5-3-13(17)4-6-14/h3-8,19H,9H2,1-2H3
InChIKeyUKOMYYLJWKQJPT-UHFFFAOYSA-N
MW322.81 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone

2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone (PubChem CID 1483853) has the molecular formula C16H15ClO3S and a molecular weight of 322.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
PubChem CID1483853
Molecular FormulaC16H15ClO3S
Molecular Weight322.81 g/mol
Exact Mass322.04
IUPAC Name2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)CS(=O)c2ccc(Cl)cc2)cc(C)c1O
InChIInChI=1S/C16H15ClO3S/c1-10-7-12(8-11(2)16(10)19)15(18)9-21(20)14-5-3-13(17)4-6-14/h3-8,19H,9H2,1-2H3
InChIKeyUKOMYYLJWKQJPT-UHFFFAOYSA-N
XLogP3.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone
CID 64636279
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
CID 64641102
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
(4-chlorophenyl)-(4-propylsulfinylphenyl)methanone
CID 13021630

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone (CID 1483853) is 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone is Cc1cc(C(=O)CS(=O)c2ccc(Cl)cc2)cc(C)c1O.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone?
The InChIKey is UKOMYYLJWKQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3S/c1-10-7-12(8-11(2)16(10)19)15(18)9-21(20)14-5-3-13(17)4-6-14/h3-8,19H,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone?
2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone has a molecular weight of 322.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 1483853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).