[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate

C24H22F2O5S — CID 59360511

IUPAC[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate
SMILESCCC(=O)OCC(F)(F)S(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C24H22F2O5S/c1-2-22(28)31-17-23(25,26)32(29,30)24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20-13-15-21(27)16-14-20/h3-16,27H,2,17H2,1H3
InChIKeyYVYNZAWIFZYKTB-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.64
Rot. Bonds8

About [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate

[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate (PubChem CID 59360511) has the molecular formula C24H22F2O5S and a molecular weight of 460.50 g/mol. Its IUPAC name is [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate.

Molecular Properties

Compound Name[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate
PubChem CID59360511
Molecular FormulaC24H22F2O5S
Molecular Weight460.50 g/mol
Exact Mass460.12
IUPAC Name[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate
SMILESCCC(=O)OCC(F)(F)S(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C24H22F2O5S/c1-2-22(28)31-17-23(25,26)32(29,30)24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20-13-15-21(27)16-14-20/h3-16,27H,2,17H2,1H3
InChIKeyYVYNZAWIFZYKTB-UHFFFAOYSA-N
XLogP4.64
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[4-(4-hydroxyphenyl)phenyl]-2-methyl-2-methylsulfonylbutanoic acid
CID 56950998
2-[2-(4-Fluoro-phenyl)-ethylsulfanyl]-3-{4-[2-(4-methanesulfonyloxy-phenyl)-acetoxymethyl]-phenyl}-propionic acid
CID 25094683
2-[2-(4-Fluoro-phenyl)-ethylsulfanyl]-3-(4-{2-[2-(4-methanesulfonyloxy-phenyl)-acetoxy]-ethyl}-phenyl)-propionic acid
CID 25094686
2-[2-(4-Fluoro-phenyl)-ethylsulfanyl]-3-(4-{3-[2-(4-methanesulfonyloxy-phenyl)-acetoxy]-propyl}-phenyl)-propionic acid
CID 25094958
4-[Diphenyl(trifluoromethylsulfonyl)methyl]phenol
CID 59360503
[2,2-Difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate
CID 59360504
[2,2-Difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] cyclohexanecarboxylate
CID 59360514
[2,2-Difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] adamantane-1-carboxylate
CID 59360519
[2,2-Difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] benzoate
CID 59360521
[4-[(1,1-Difluoro-2-propanoyloxyethyl)sulfonyl-diphenylmethyl]phenyl] 2-methylprop-2-enoate
CID 59360528
2-[2-[4-[1,1-Bis(4-hydroxyphenyl)ethyl]phenyl]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
CID 59724403
4-[3-[5-(4,4,5,5,5-Pentafluoropentylsulfinyl)pentoxy]-1,2-diphenylbut-1-enyl]phenol
CID 88341767

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate?
The IUPAC name of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate (CID 59360511) is [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate.
What is the SMILES notation for [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate?
The canonical SMILES for [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate is CCC(=O)OCC(F)(F)S(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate?
The InChIKey is YVYNZAWIFZYKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2O5S/c1-2-22(28)31-17-23(25,26)32(29,30)24(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20-13-15-21(27)16-14-20/h3-16,27H,2,17H2,1H3.
What are the key properties of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate?
[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate has a molecular weight of 460.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] propanoate is sourced from PubChem (CID 59360511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).