2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone

C15H20OS — CID 65138695

IUPAC2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)CSC2CCCC2)c1
InChIInChI=1S/C15H20OS/c1-11-7-12(2)9-13(8-11)15(16)10-17-14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3
InChIKeyWOZQNOBZBJFZMQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.16
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone

2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone (PubChem CID 65138695) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone
PubChem CID65138695
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(C(=O)CSC2CCCC2)c1
InChIInChI=1S/C15H20OS/c1-11-7-12(2)9-13(8-11)15(16)10-17-14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3
InChIKeyWOZQNOBZBJFZMQ-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone (CID 65138695) is 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(C(=O)CSC2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone?
The InChIKey is WOZQNOBZBJFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-11-7-12(2)9-13(8-11)15(16)10-17-14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone?
2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone has a molecular weight of 248.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 65138695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).