[3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol

C20H21FO4S — CID 23203740

IUPAC[3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol
SMILESCS(=O)(=O)c1ccc(C2=CCC(CO)(CO)C2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FO4S/c1-26(24,25)17-6-7-18(15-8-9-20(11-15,12-22)13-23)19(10-17)14-2-4-16(21)5-3-14/h2-8,10,22-23H,9,11-13H2,1H3
InChIKeyUXKPHRIENWXRTG-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.04
Rot. Bonds5

About [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol

[3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol (PubChem CID 23203740) has the molecular formula C20H21FO4S and a molecular weight of 376.45 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol
PubChem CID23203740
Molecular FormulaC20H21FO4S
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name[3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol
SMILESCS(=O)(=O)c1ccc(C2=CCC(CO)(CO)C2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FO4S/c1-26(24,25)17-6-7-18(15-8-9-20(11-15,12-22)13-23)19(10-17)14-2-4-16(21)5-3-14/h2-8,10,22-23H,9,11-13H2,1H3
InChIKeyUXKPHRIENWXRTG-UHFFFAOYSA-N
XLogP3.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
The IUPAC name of [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol (CID 23203740) is [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol is CS(=O)(=O)c1ccc(C2=CCC(CO)(CO)C2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
The InChIKey is UXKPHRIENWXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO4S/c1-26(24,25)17-6-7-18(15-8-9-20(11-15,12-22)13-23)19(10-17)14-2-4-16(21)5-3-14/h2-8,10,22-23H,9,11-13H2,1H3.
What are the key properties of [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
[3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol has a molecular weight of 376.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]-1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 23203740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).