1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone

C19H15ClO2S — CID 7489262

IUPAC1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C19H15ClO2S/c1-22-19-9-7-15(11-17(19)20)18(21)12-23-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3
InChIKeyMGVGXOIRIXERAR-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.48
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone

1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone (PubChem CID 7489262) has the molecular formula C19H15ClO2S and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
PubChem CID7489262
Molecular FormulaC19H15ClO2S
Molecular Weight342.85 g/mol
Exact Mass342.05
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C19H15ClO2S/c1-22-19-9-7-15(11-17(19)20)18(21)12-23-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3
InChIKeyMGVGXOIRIXERAR-UHFFFAOYSA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43222143
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
1-(3-chloro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43222130
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43220181
2-methoxy-5-(2-phenylsulfanylacetyl)benzoic acid
CID 82052354
1-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]ethanone
CID 103289013
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
1-(4-iodophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43218764
1-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520160
1-(3-chloro-4-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 62267156
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880247

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone (CID 7489262) is 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone is COc1ccc(C(=O)CSc2ccc3ccccc3c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone?
The InChIKey is MGVGXOIRIXERAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO2S/c1-22-19-9-7-15(11-17(19)20)18(21)12-23-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone?
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone has a molecular weight of 342.85 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone is sourced from PubChem (CID 7489262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).