4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol

C21H24F2O3S — CID 58344215

IUPAC4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESCCc1cc(-c2ccc(F)cc2F)ccc1S(=O)(=O)CC1CCC(O)CC1
InChIInChI=1S/C21H24F2O3S/c1-2-15-11-16(19-9-6-17(22)12-20(19)23)5-10-21(15)27(25,26)13-14-3-7-18(24)8-4-14/h5-6,9-12,14,18,24H,2-4,7-8,13H2,1H3
InChIKeyPTVGKAYDDVHTRL-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.52
Rot. Bonds5

About 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol

4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol (PubChem CID 58344215) has the molecular formula C21H24F2O3S and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol
PubChem CID58344215
Molecular FormulaC21H24F2O3S
Molecular Weight394.48 g/mol
Exact Mass394.14
IUPAC Name4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESCCc1cc(-c2ccc(F)cc2F)ccc1S(=O)(=O)CC1CCC(O)CC1
InChIInChI=1S/C21H24F2O3S/c1-2-15-11-16(19-9-6-17(22)12-20(19)23)5-10-21(15)27(25,26)13-14-3-7-18(24)8-4-14/h5-6,9-12,14,18,24H,2-4,7-8,13H2,1H3
InChIKeyPTVGKAYDDVHTRL-UHFFFAOYSA-N
XLogP4.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-3,3-dibutyl-5-(4-fluorophenyl)-7-methyl-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11539289
(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
(4R,5R)-3,3-dibutyl-9-fluoro-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11697828
(4R,5R)-5-(4-fluorophenyl)-7-methyl-1,1-dioxo-3,3-dipentyl-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11712315
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218
3-Fluoro-4-[4-[(4-hydroxy-4-methylcyclohexyl)methylsulfonyl]-3-(trifluoromethyl)phenyl]benzonitrile
CID 146397628
4-[[4-(2,4-Difluorophenyl)-2-(trifluoromethyl)phenyl]sulfonylmethyl]-1-methylcyclohexan-1-ol
CID 146397630
(1S,2R)-1-fluoro-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]hexan-2-ol
CID 135060806
(1S,2S)-1-fluoro-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]hexan-2-ol
CID 135061281
5,5-Bis(benzenesulfonyl)-5-fluoro-4-phenylpentan-2-ol
CID 135070954
(R)-3-fluoro-3-phenyl-8-tosyloctan-1-ol
CID 138375715

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol (CID 58344215) is 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol is CCc1cc(-c2ccc(F)cc2F)ccc1S(=O)(=O)CC1CCC(O)CC1.
What is the InChIKey of 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol?
The InChIKey is PTVGKAYDDVHTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2O3S/c1-2-15-11-16(19-9-6-17(22)12-20(19)23)5-10-21(15)27(25,26)13-14-3-7-18(24)8-4-14/h5-6,9-12,14,18,24H,2-4,7-8,13H2,1H3.
What are the key properties of 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol?
4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol has a molecular weight of 394.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-difluorophenyl)-2-ethylphenyl]sulfonylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 58344215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).