[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol

C19H19FO3S — CID 22917283

IUPAC[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC(CO)C2)cc1
InChIInChI=1S/C19H19FO3S/c1-24(22,23)17-8-4-15(5-9-17)19-11-13(12-21)10-18(19)14-2-6-16(20)7-3-14/h2-9,13,21H,10-12H2,1H3
InChIKeyIJFFXNVKXHSDPP-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.54
Rot. Bonds4

About [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol

[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol (PubChem CID 22917283) has the molecular formula C19H19FO3S and a molecular weight of 346.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol
PubChem CID22917283
Molecular FormulaC19H19FO3S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC(CO)C2)cc1
InChIInChI=1S/C19H19FO3S/c1-24(22,23)17-8-4-15(5-9-17)19-11-13(12-21)10-18(19)14-2-6-16(20)7-3-14/h2-9,13,21H,10-12H2,1H3
InChIKeyIJFFXNVKXHSDPP-UHFFFAOYSA-N
XLogP3.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
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 [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol (CID 22917283) is [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol is CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC(CO)C2)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol?
The InChIKey is IJFFXNVKXHSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3S/c1-24(22,23)17-8-4-15(5-9-17)19-11-13(12-21)10-18(19)14-2-6-16(20)7-3-14/h2-9,13,21H,10-12H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol?
[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol has a molecular weight of 346.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 22917283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).