1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one

C15H19ClOS — CID 65139677

IUPAC1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
SMILESO=C(CSC1CCCCC1)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClOS/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2
InChIKeyKHEKRBNXIIYVDW-UHFFFAOYSA-N
MW282.84 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one

1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one (PubChem CID 65139677) has the molecular formula C15H19ClOS and a molecular weight of 282.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
PubChem CID65139677
Molecular FormulaC15H19ClOS
Molecular Weight282.84 g/mol
Exact Mass282.08
IUPAC Name1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
SMILESO=C(CSC1CCCCC1)Cc1ccccc1Cl
InChIInChI=1S/C15H19ClOS/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2
InChIKeyKHEKRBNXIIYVDW-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one (CID 65139677) is 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one is O=C(CSC1CCCCC1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The InChIKey is KHEKRBNXIIYVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClOS/c16-15-9-5-4-6-12(15)10-13(17)11-18-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10-11H2.
What are the key properties of 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one?
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one has a molecular weight of 282.84 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one is sourced from PubChem (CID 65139677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).