2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone

C16H15ClO3S — CID 11370711

IUPAC2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCOc1ccc(OCC(=O)c2ccc(SC)cc2)c(Cl)c1
InChIInChI=1S/C16H15ClO3S/c1-19-12-5-8-16(14(17)9-12)20-10-15(18)11-3-6-13(21-2)7-4-11/h3-9H,10H2,1-2H3
InChIKeyMPEVFRHHWDKQHA-UHFFFAOYSA-N
MW322.81 g/mol
LogP4.33
Rot. Bonds6

About 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone

2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 11370711) has the molecular formula C16H15ClO3S and a molecular weight of 322.81 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID11370711
Molecular FormulaC16H15ClO3S
Molecular Weight322.81 g/mol
Exact Mass322.04
IUPAC Name2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone
SMILESCOc1ccc(OCC(=O)c2ccc(SC)cc2)c(Cl)c1
InChIInChI=1S/C16H15ClO3S/c1-19-12-5-8-16(14(17)9-12)20-10-15(18)11-3-6-13(21-2)7-4-11/h3-9H,10H2,1-2H3
InChIKeyMPEVFRHHWDKQHA-UHFFFAOYSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzaldehyde
CID 62033834
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8544059
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
4-chloro-2-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 114323757
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
4-methyl-3-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 107659317
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 55314951
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014248

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone (CID 11370711) is 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone is COc1ccc(OCC(=O)c2ccc(SC)cc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is MPEVFRHHWDKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3S/c1-19-12-5-8-16(14(17)9-12)20-10-15(18)11-3-6-13(21-2)7-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone?
2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 322.81 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenoxy)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 11370711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).