2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone

C15H13ClO2S — CID 54303142

IUPAC2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)C(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-19-13-8-4-11(5-9-13)15(18)14(17)10-2-6-12(16)7-3-10/h2-9,14,17H,1H3
InChIKeySFQJACBDJLZWKF-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone

2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 54303142) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone
PubChem CID54303142
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)C(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-19-13-8-4-11(5-9-13)15(18)14(17)10-2-6-12(16)7-3-10/h2-9,14,17H,1H3
InChIKeySFQJACBDJLZWKF-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)propan-1-one
CID 58872857
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204
2-hydroxy-1,2-bis(4-hydroxyphenyl)ethanone
CID 15792828
2-chloro-2-(4-methylsulfanylphenyl)-1-phenylethanone
CID 54342161
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
3,4-bis(4-chlorobenzoyl)hexane-2,5-dione
CID 46243237
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-ethyl-1-(4-methylsulfanylphenyl)butan-1-one
CID 82165003
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone (CID 54303142) is 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)C(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is SFQJACBDJLZWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-19-13-8-4-11(5-9-13)15(18)14(17)10-2-6-12(16)7-3-10/h2-9,14,17H,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone?
2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 292.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxy-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 54303142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).