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

C19H19FO3S — CID 22917666

IUPAC1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCOc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)ccc1F
InChIInChI=1S/C19H19FO3S/c1-23-19-12-14(8-11-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)24(2,21)22/h6-12H,3-5H2,1-2H3
InChIKeyFZYKFKXGTHFCSH-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.33
Rot. Bonds4

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

1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (PubChem CID 22917666) has the molecular formula C19H19FO3S and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
PubChem CID22917666
Molecular FormulaC19H19FO3S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCOc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)ccc1F
InChIInChI=1S/C19H19FO3S/c1-23-19-12-14(8-11-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)24(2,21)22/h6-12H,3-5H2,1-2H3
InChIKeyFZYKFKXGTHFCSH-UHFFFAOYSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.33
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-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The IUPAC name of 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (CID 22917666) is 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The canonical SMILES for 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is COc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)ccc1F.
What is the InChIKey of 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The InChIKey is FZYKFKXGTHFCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3S/c1-23-19-12-14(8-11-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)24(2,21)22/h6-12H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene has a molecular weight of 346.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is sourced from PubChem (CID 22917666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).