2-(4-methylphenyl)sulfinylcyclopentan-1-one

C12H14O2S — CID 11064019

IUPAC2-(4-methylphenyl)sulfinylcyclopentan-1-one
SMILESCc1ccc(S(=O)C2CCCC2=O)cc1
InChIInChI=1S/C12H14O2S/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h5-8,12H,2-4H2,1H3
InChIKeyHIHFDGSOXNGCTH-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.22
Rot. Bonds2

About 2-(4-methylphenyl)sulfinylcyclopentan-1-one

2-(4-methylphenyl)sulfinylcyclopentan-1-one (PubChem CID 11064019) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfinylcyclopentan-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfinylcyclopentan-1-one
PubChem CID11064019
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name2-(4-methylphenyl)sulfinylcyclopentan-1-one
SMILESCc1ccc(S(=O)C2CCCC2=O)cc1
InChIInChI=1S/C12H14O2S/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h5-8,12H,2-4H2,1H3
InChIKeyHIHFDGSOXNGCTH-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfinylcyclopentan-1-one?
The IUPAC name of 2-(4-methylphenyl)sulfinylcyclopentan-1-one (CID 11064019) is 2-(4-methylphenyl)sulfinylcyclopentan-1-one.
What is the SMILES notation for 2-(4-methylphenyl)sulfinylcyclopentan-1-one?
The canonical SMILES for 2-(4-methylphenyl)sulfinylcyclopentan-1-one is Cc1ccc(S(=O)C2CCCC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfinylcyclopentan-1-one?
The InChIKey is HIHFDGSOXNGCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h5-8,12H,2-4H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfinylcyclopentan-1-one?
2-(4-methylphenyl)sulfinylcyclopentan-1-one has a molecular weight of 222.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfinylcyclopentan-1-one is sourced from PubChem (CID 11064019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).