1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol

C12H16F2O3S — CID 65095993

IUPAC1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2O3S/c1-2-18(16,17)7-3-4-12(15)10-6-5-9(13)8-11(10)14/h5-6,8,12,15H,2-4,7H2,1H3
InChIKeyXCHDKNYPHWGXMM-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.21
Rot. Bonds6

About 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol

1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol (PubChem CID 65095993) has the molecular formula C12H16F2O3S and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
PubChem CID65095993
Molecular FormulaC12H16F2O3S
Molecular Weight278.32 g/mol
Exact Mass278.08
IUPAC Name1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2O3S/c1-2-18(16,17)7-3-4-12(15)10-6-5-9(13)8-11(10)14/h5-6,8,12,15H,2-4,7H2,1H3
InChIKeyXCHDKNYPHWGXMM-UHFFFAOYSA-N
XLogP2.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
4-ethylsulfonyl-1-(2-fluoro-5-methylphenyl)butan-1-ol
CID 115803626
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 63192126
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439
1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
CID 115608674
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
1-(3-chloro-5-fluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 114454083
5-ethylsulfonyl-2-(4-fluorophenyl)pentan-1-ol
CID 79437908
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005789
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol (CID 65095993) is 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol is CCS(=O)(=O)CCCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol?
The InChIKey is XCHDKNYPHWGXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O3S/c1-2-18(16,17)7-3-4-12(15)10-6-5-9(13)8-11(10)14/h5-6,8,12,15H,2-4,7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol?
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol has a molecular weight of 278.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 65095993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).