2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one

C12H12O2S — CID 11229746

IUPAC2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one
SMILESCc1ccc(S(=O)C2=CCCC2=O)cc1
InChIInChI=1S/C12H12O2S/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h4-8H,2-3H2,1H3
InChIKeyOXJHVPNLFJWVJT-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.35
Rot. Bonds2

About 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one

2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one (PubChem CID 11229746) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one
PubChem CID11229746
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one
SMILESCc1ccc(S(=O)C2=CCCC2=O)cc1
InChIInChI=1S/C12H12O2S/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h4-8H,2-3H2,1H3
InChIKeyOXJHVPNLFJWVJT-UHFFFAOYSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(Phenylsulfinyl)phenyl]-1-ethanone
CID 1487167
1-[4-(Benzenesulfonyl)phenyl]ethan-1-one
CID 265878
Orazipone
CID 178387
(p-Tolylsulphonyl)acetone
CID 79327
4-Methylsulfonylacetophenone
CID 82529
S-(4-Methylphenyl) ethanethioate
CID 82629
2-Methyl-5-[(4-methylphenyl)sulfanyl]cyclohexa-2,5-diene-1,4-dione
CID 276581
3-acetyl-4-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 1485939
(s)-2-(p-Tolylsulfinyl)-1,4-benzoquinone
CID 10944718
Sbb058976
CID 264831
5-methoxy-2-methyl-3-[(S)-(4-methylphenyl)sulfinyl]cyclohexa-2,5-diene-1,4-dione
CID 11694955
5-Methoxy-2-methyl-3-(4-methylphenyl)sulfinylcyclohexa-2,5-diene-1,4-dione
CID 73064776

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one?
The IUPAC name of 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one (CID 11229746) is 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one.
What is the SMILES notation for 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one?
The canonical SMILES for 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one is Cc1ccc(S(=O)C2=CCCC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one?
The InChIKey is OXJHVPNLFJWVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-9-5-7-10(8-6-9)15(14)12-4-2-3-11(12)13/h4-8H,2-3H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one?
2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one has a molecular weight of 220.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfinylcyclopent-2-en-1-one is sourced from PubChem (CID 11229746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).