1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one

C17H17ClOS — CID 66145984

IUPAC1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)CSc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClOS/c1-2-13-6-8-14(9-7-13)10-16(19)12-20-17-5-3-4-15(18)11-17/h3-9,11H,2,10,12H2,1H3
InChIKeyCOABLMQBWYHIGH-UHFFFAOYSA-N
MW304.84 g/mol
LogP4.81
Rot. Bonds6

About 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one

1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one (PubChem CID 66145984) has the molecular formula C17H17ClOS and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
PubChem CID66145984
Molecular FormulaC17H17ClOS
Molecular Weight304.84 g/mol
Exact Mass304.07
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
SMILESCCc1ccc(CC(=O)CSc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClOS/c1-2-13-6-8-14(9-7-13)10-16(19)12-20-17-5-3-4-15(18)11-17/h3-9,11H,2,10,12H2,1H3
InChIKeyCOABLMQBWYHIGH-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475
1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
CID 82920301
1-(3-chlorophenyl)sulfanylbutan-2-one
CID 62648231
1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 107884020
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 114854003
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
CID 66145989
ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393
1-(3-chlorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 66146410
ethyl 2-(3-chlorophenyl)sulfanylacetate
CID 62648053
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
1-(3-chlorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 66147861

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one (CID 66145984) is 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one is CCc1ccc(CC(=O)CSc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one?
The InChIKey is COABLMQBWYHIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClOS/c1-2-13-6-8-14(9-7-13)10-16(19)12-20-17-5-3-4-15(18)11-17/h3-9,11H,2,10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one?
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one has a molecular weight of 304.84 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one is sourced from PubChem (CID 66145984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).