cyclohexene;1-methylsulfonyl-4-phenylbenzene

C19H22O2S — CID 68567759

IUPACcyclohexene;1-methylsulfonyl-4-phenylbenzene
SMILESC1=CCCCC1.CS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O2S.C6H10/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1/h2-10H,1H3;1-2H,3-6H2
InChIKeyVKRJHPHUZGWTSV-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.87
Rot. Bonds2

About cyclohexene;1-methylsulfonyl-4-phenylbenzene

cyclohexene;1-methylsulfonyl-4-phenylbenzene (PubChem CID 68567759) has the molecular formula C19H22O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is cyclohexene;1-methylsulfonyl-4-phenylbenzene.

Molecular Properties

Compound Namecyclohexene;1-methylsulfonyl-4-phenylbenzene
PubChem CID68567759
Molecular FormulaC19H22O2S
Molecular Weight314.45 g/mol
Exact Mass314.13
IUPAC Namecyclohexene;1-methylsulfonyl-4-phenylbenzene
SMILESC1=CCCCC1.CS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O2S.C6H10/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1/h2-10H,1H3;1-2H,3-6H2
InChIKeyVKRJHPHUZGWTSV-UHFFFAOYSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohexene;1-methylsulfonyl-4-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methylsulfonylphenyl)-6-phenylspiro[3.4]oct-6-ene
CID 18933961
1-[bromo-(4-methylsulfonylphenyl)methyl]-4-phenylbenzene
CID 22767119
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
2,2-dimethyl-3-(4-methylsulfonylphenyl)-4-phenyloxasilol-5-one
CID 11999252
2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole
CID 57260118
2-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]propanoic acid
CID 176514258
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
ethane;5-methyl-1-methylsulfonylcyclodeca-1,3,5,7,9-pentaene
CID 143718879
1,3-bis[4-(4-methylsulfonylphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 158321253

Frequently Asked Questions

What is the IUPAC name of cyclohexene;1-methylsulfonyl-4-phenylbenzene?
The IUPAC name of cyclohexene;1-methylsulfonyl-4-phenylbenzene (CID 68567759) is cyclohexene;1-methylsulfonyl-4-phenylbenzene.
What is the SMILES notation for cyclohexene;1-methylsulfonyl-4-phenylbenzene?
The canonical SMILES for cyclohexene;1-methylsulfonyl-4-phenylbenzene is C1=CCCCC1.CS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of cyclohexene;1-methylsulfonyl-4-phenylbenzene?
The InChIKey is VKRJHPHUZGWTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S.C6H10/c1-16(14,15)13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1/h2-10H,1H3;1-2H,3-6H2.
What are the key properties of cyclohexene;1-methylsulfonyl-4-phenylbenzene?
cyclohexene;1-methylsulfonyl-4-phenylbenzene has a molecular weight of 314.45 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;1-methylsulfonyl-4-phenylbenzene is sourced from PubChem (CID 68567759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).