5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol

C24H22F2O3S — CID 155519218

IUPAC5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(CCCO)=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F2O3S/c1-30(28,29)22-14-8-17(9-15-22)23(3-2-16-27)24(18-4-10-20(25)11-5-18)19-6-12-21(26)13-7-19/h4-15,27H,2-3,16H2,1H3
InChIKeySMXNOJXGSQHUFP-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.10
Rot. Bonds7

About 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol

5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol (PubChem CID 155519218) has the molecular formula C24H22F2O3S and a molecular weight of 428.50 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
PubChem CID155519218
Molecular FormulaC24H22F2O3S
Molecular Weight428.50 g/mol
Exact Mass428.13
IUPAC Name5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(CCCO)=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22F2O3S/c1-30(28,29)22-14-8-17(9-15-22)23(3-2-16-27)24(18-4-10-20(25)11-5-18)19-6-12-21(26)13-7-19/h4-15,27H,2-3,16H2,1H3
InChIKeySMXNOJXGSQHUFP-UHFFFAOYSA-N
XLogP5.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.10
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 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol?
The IUPAC name of 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol (CID 155519218) is 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol is CS(=O)(=O)c1ccc(C(CCCO)=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol?
The InChIKey is SMXNOJXGSQHUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2O3S/c1-30(28,29)22-14-8-17(9-15-22)23(3-2-16-27)24(18-4-10-20(25)11-5-18)19-6-12-21(26)13-7-19/h4-15,27H,2-3,16H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol?
5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol has a molecular weight of 428.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol is sourced from PubChem (CID 155519218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).