6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol

C18H20F2O3S — CID 58344098

IUPAC6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol
SMILESO=S(=O)(CCCCCCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2O3S/c19-15-7-10-17(18(20)13-15)14-5-8-16(9-6-14)24(22,23)12-4-2-1-3-11-21/h5-10,13,21H,1-4,11-12H2
InChIKeyAGEHEJQSGBUWFZ-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.96
Rot. Bonds8

About 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol

6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol (PubChem CID 58344098) has the molecular formula C18H20F2O3S and a molecular weight of 354.42 g/mol. Its IUPAC name is 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol.

Molecular Properties

Compound Name6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol
PubChem CID58344098
Molecular FormulaC18H20F2O3S
Molecular Weight354.42 g/mol
Exact Mass354.11
IUPAC Name6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol
SMILESO=S(=O)(CCCCCCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2O3S/c19-15-7-10-17(18(20)13-15)14-5-8-16(9-6-14)24(22,23)12-4-2-1-3-11-21/h5-10,13,21H,1-4,11-12H2
InChIKeyAGEHEJQSGBUWFZ-UHFFFAOYSA-N
XLogP3.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-3,3-dibutyl-9-fluoro-5-(4-fluorophenyl)-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-4-ol
CID 11697828
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
3-[2-[3-(2,3,4,5,6-Pentafluorophenyl)sulfonylprop-1-ynyl]phenyl]prop-2-yn-1-ol
CID 145964334
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
6-[2-[3-(2,3,4,5,6-Pentafluorophenyl)sulfinylprop-1-ynyl]phenyl]hex-5-yn-1-ol
CID 145964994
4,4'-Bis(2-hydroxyethylthio)biphenyl
CID 2192654
(z)-3-Fluoro-4-phenyl-1-(p-tolylsulphonyl) but-3-en2-ol
CID 14641162
(2Z)-2-(5-fluoro-2-{2-(phenylsulfonyl)ethyl}benzyl)but-2-ene-1,4-diol
CID 71662018
(3S)-4,4-bis(benzenesulfonyl)-4-fluoro-3-phenylbutan-1-ol
CID 101481379
2-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
CID 134849149

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol?
The IUPAC name of 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol (CID 58344098) is 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol.
What is the SMILES notation for 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol?
The canonical SMILES for 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol is O=S(=O)(CCCCCCO)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol?
The InChIKey is AGEHEJQSGBUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O3S/c19-15-7-10-17(18(20)13-15)14-5-8-16(9-6-14)24(22,23)12-4-2-1-3-11-21/h5-10,13,21H,1-4,11-12H2.
What are the key properties of 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol?
6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol has a molecular weight of 354.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-difluorophenyl)phenyl]sulfonylhexan-1-ol is sourced from PubChem (CID 58344098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).