3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol

C19H20O3S — CID 70298836

IUPAC3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol
SMILESCCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(O)CC2)cc1
InChIInChI=1S/C19H20O3S/c1-2-23(21,22)16-10-8-14(9-11-16)17-12-13-18(20)19(17)15-6-4-3-5-7-15/h3-11,18,20H,2,12-13H2,1H3
InChIKeyIHBPPJGRAUMMBR-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.55
Rot. Bonds4

About 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol

3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol (PubChem CID 70298836) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol
PubChem CID70298836
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol
SMILESCCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(O)CC2)cc1
InChIInChI=1S/C19H20O3S/c1-2-23(21,22)16-10-8-14(9-11-16)17-12-13-18(20)19(17)15-6-4-3-5-7-15/h3-11,18,20H,2,12-13H2,1H3
InChIKeyIHBPPJGRAUMMBR-UHFFFAOYSA-N
XLogP3.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
(3S,4R,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11595883
(3S,4R,5R)-3-butyl-3-ethyl-5-(4-fluorophenyl)-7-methyl-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11668567
1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
(3S,4S,5S)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11538009
(3S,4S,5R)-3-butyl-3-ethyl-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11639352
3-(4-Methanesulfonyl-phenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-enol
CID 18969768
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
(4-Methanesulfonylphenyl)methanol
CID 3801026

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol?
The IUPAC name of 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol (CID 70298836) is 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol.
What is the SMILES notation for 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol?
The canonical SMILES for 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol is CCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(O)CC2)cc1.
What is the InChIKey of 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol?
The InChIKey is IHBPPJGRAUMMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S/c1-2-23(21,22)16-10-8-14(9-11-16)17-12-13-18(20)19(17)15-6-4-3-5-7-15/h3-11,18,20H,2,12-13H2,1H3.
What are the key properties of 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol?
3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol has a molecular weight of 328.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonylphenyl)-2-phenylcyclopent-2-en-1-ol is sourced from PubChem (CID 70298836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).