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

C11H11ClOS — CID 62645962

IUPAC2-(3-chlorophenyl)sulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1cccc(Cl)c1
InChIInChI=1S/C11H11ClOS/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,11H,2,5-6H2
InChIKeyBNPVILHBQPRENB-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.55
Rot. Bonds2

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

2-(3-chlorophenyl)sulfanylcyclopentan-1-one (PubChem CID 62645962) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanylcyclopentan-1-one
PubChem CID62645962
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name2-(3-chlorophenyl)sulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1cccc(Cl)c1
InChIInChI=1S/C11H11ClOS/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,11H,2,5-6H2
InChIKeyBNPVILHBQPRENB-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanylcyclopentan-1-one?
The IUPAC name of 2-(3-chlorophenyl)sulfanylcyclopentan-1-one (CID 62645962) is 2-(3-chlorophenyl)sulfanylcyclopentan-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanylcyclopentan-1-one?
The canonical SMILES for 2-(3-chlorophenyl)sulfanylcyclopentan-1-one is O=C1CCCC1Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanylcyclopentan-1-one?
The InChIKey is BNPVILHBQPRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c12-8-3-1-4-9(7-8)14-11-6-2-5-10(11)13/h1,3-4,7,11H,2,5-6H2.
What are the key properties of 2-(3-chlorophenyl)sulfanylcyclopentan-1-one?
2-(3-chlorophenyl)sulfanylcyclopentan-1-one has a molecular weight of 226.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanylcyclopentan-1-one is sourced from PubChem (CID 62645962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).