3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol

C19H20F2O3S — CID 58344144

IUPAC3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(CC1CCCC(O)C1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2O3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)25(23,24)12-13-2-1-3-16(22)10-13/h4-9,11,13,16,22H,1-3,10,12H2
InChIKeySEYIULGCTOUFBQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.96
Rot. Bonds4

About 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol

3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol (PubChem CID 58344144) has the molecular formula C19H20F2O3S and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
PubChem CID58344144
Molecular FormulaC19H20F2O3S
Molecular Weight366.43 g/mol
Exact Mass366.11
IUPAC Name3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(CC1CCCC(O)C1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2O3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)25(23,24)12-13-2-1-3-16(22)10-13/h4-9,11,13,16,22H,1-3,10,12H2
InChIKeySEYIULGCTOUFBQ-UHFFFAOYSA-N
XLogP3.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.96
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
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
4-[[4-(2,4-Difluorophenyl)-2-(trifluoromethyl)phenyl]sulfonylmethyl]-1-methylcyclohexan-1-ol
CID 146397630
(1R,2R,3S,6S)-2-fluoro-3-methyl-6-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 14936917
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-phenylbutan-1-ol
CID 101481379
2,2-Bis(benzenesulfonyl)-1-cyclohexyl-2-fluoroethanol
CID 101783929

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
The IUPAC name of 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol (CID 58344144) is 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol is O=S(=O)(CC1CCCC(O)C1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
The InChIKey is SEYIULGCTOUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)25(23,24)12-13-2-1-3-16(22)10-13/h4-9,11,13,16,22H,1-3,10,12H2.
What are the key properties of 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol?
3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol has a molecular weight of 366.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 58344144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).