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

C20H19F3O3S — CID 22917717

IUPAC[3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(CO)C2)cc1
InChIInChI=1S/C20H19F3O3S/c1-27(25,26)17-8-4-15(5-9-17)19-11-13(12-24)10-18(19)14-2-6-16(7-3-14)20(21,22)23/h2-9,13,24H,10-12H2,1H3
InChIKeyQAMYDRHLBBNWRD-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.42
Rot. Bonds4

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

[3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol (PubChem CID 22917717) has the molecular formula C20H19F3O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol
PubChem CID22917717
Molecular FormulaC20H19F3O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name[3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(CO)C2)cc1
InChIInChI=1S/C20H19F3O3S/c1-27(25,26)17-8-4-15(5-9-17)19-11-13(12-24)10-18(19)14-2-6-16(7-3-14)20(21,22)23/h2-9,13,24H,10-12H2,1H3
InChIKeyQAMYDRHLBBNWRD-UHFFFAOYSA-N
XLogP4.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.42
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-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol?
The IUPAC name of [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol (CID 22917717) is [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol is CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(CO)C2)cc1.
What is the InChIKey of [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol?
The InChIKey is QAMYDRHLBBNWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O3S/c1-27(25,26)17-8-4-15(5-9-17)19-11-13(12-24)10-18(19)14-2-6-16(7-3-14)20(21,22)23/h2-9,13,24H,10-12H2,1H3.
What are the key properties of [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol?
[3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol has a molecular weight of 396.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 22917717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).