1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone

C15H12Cl2O2S — CID 79700591

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
SMILESCOc1cc(C(=O)CSc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2O2S/c1-19-14-8-10(6-7-11(14)16)13(18)9-20-15-5-3-2-4-12(15)17/h2-8H,9H2,1H3
InChIKeyWTXBBDOENZISKP-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.98
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone

1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone (PubChem CID 79700591) has the molecular formula C15H12Cl2O2S and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
PubChem CID79700591
Molecular FormulaC15H12Cl2O2S
Molecular Weight327.23 g/mol
Exact Mass325.99
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
SMILESCOc1cc(C(=O)CSc2ccccc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2O2S/c1-19-14-8-10(6-7-11(14)16)13(18)9-20-15-5-3-2-4-12(15)17/h2-8H,9H2,1H3
InChIKeyWTXBBDOENZISKP-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
CID 66139748
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)sulfanylethanone
CID 43231211
1-(3-chloro-4-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 43222130
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 61292075
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone (CID 79700591) is 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone is COc1cc(C(=O)CSc2ccccc2Cl)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone?
The InChIKey is WTXBBDOENZISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2S/c1-19-14-8-10(6-7-11(14)16)13(18)9-20-15-5-3-2-4-12(15)17/h2-8H,9H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone?
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone has a molecular weight of 327.23 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone is sourced from PubChem (CID 79700591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).