1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene

C19H20O3S — CID 25022606

IUPAC1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(O[11CH3])cc3)CCC2)cc1
InChIInChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3/i1-1
InChIKeyRAUHMMADXJJVRP-BJUDXGSMSA-N
MW327.43 g/mol
LogP4.19
Rot. Bonds4

About 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene

1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (PubChem CID 25022606) has the molecular formula C19H20O3S and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
PubChem CID25022606
Molecular FormulaC19H20O3S
Molecular Weight327.43 g/mol
Exact Mass327.12
IUPAC Name1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(O[11CH3])cc3)CCC2)cc1
InChIInChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3/i1-1
InChIKeyRAUHMMADXJJVRP-BJUDXGSMSA-N
XLogP4.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The IUPAC name of 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (CID 25022606) is 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The canonical SMILES for 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is CS(=O)(=O)c1ccc(C2=C(c3ccc(O[11CH3])cc3)CCC2)cc1.
What is the InChIKey of 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The InChIKey is RAUHMMADXJJVRP-BJUDXGSMSA-N. The full InChI is InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3/i1-1.
What are the key properties of 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene has a molecular weight of 327.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(111C)methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is sourced from PubChem (CID 25022606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).