1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol

C16H16F2O4S — CID 110005789

IUPAC1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2O4S/c17-13-5-6-14(15(18)7-13)16(20)10-23(21,22)9-12-3-1-11(8-19)2-4-12/h1-7,16,19-20H,8-10H2
InChIKeyRAXHLKBAPVOWNM-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.11
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol

1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol (PubChem CID 110005789) has the molecular formula C16H16F2O4S and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
PubChem CID110005789
Molecular FormulaC16H16F2O4S
Molecular Weight342.36 g/mol
Exact Mass342.07
IUPAC Name1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
SMILESO=S(=O)(Cc1ccc(CO)cc1)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2O4S/c17-13-5-6-14(15(18)7-13)16(20)10-23(21,22)9-12-3-1-11(8-19)2-4-12/h1-7,16,19-20H,8-10H2
InChIKeyRAXHLKBAPVOWNM-UHFFFAOYSA-N
XLogP2.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol 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-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005774
1-(2,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanol
CID 47559569
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
1-(3,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005773
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
2-[(2,6-difluorophenyl)methylsulfonyl]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110018275
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
(2,4-difluorophenyl)methanediol
CID 91089962

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol (CID 110005789) is 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol is O=S(=O)(Cc1ccc(CO)cc1)CC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
The InChIKey is RAXHLKBAPVOWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O4S/c17-13-5-6-14(15(18)7-13)16(20)10-23(21,22)9-12-3-1-11(8-19)2-4-12/h1-7,16,19-20H,8-10H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol has a molecular weight of 342.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol is sourced from PubChem (CID 110005789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).