1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol

C17H19FO4S — CID 110005774

IUPAC1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
SMILESCc1cc(F)ccc1C(O)CS(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C17H19FO4S/c1-12-8-15(18)6-7-16(12)17(20)11-23(21,22)10-14-4-2-13(9-19)3-5-14/h2-8,17,19-20H,9-11H2,1H3
InChIKeyINTFCHKAOAESJQ-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.27
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol (PubChem CID 110005774) has the molecular formula C17H19FO4S and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
PubChem CID110005774
Molecular FormulaC17H19FO4S
Molecular Weight338.40 g/mol
Exact Mass338.10
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
SMILESCc1cc(F)ccc1C(O)CS(=O)(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C17H19FO4S/c1-12-8-15(18)6-7-16(12)17(20)11-23(21,22)10-14-4-2-13(9-19)3-5-14/h2-8,17,19-20H,9-11H2,1H3
InChIKeyINTFCHKAOAESJQ-UHFFFAOYSA-N
XLogP2.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005789
2-[(2,6-difluorophenyl)methylsulfonyl]-1-(4-fluoro-2-methylphenyl)ethanol
CID 110018275
1-(3,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol
CID 110005773
1-(2,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanol
CID 47559569
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
sodium (4-fluoro-2-methylphenyl)-hydroxymethanesulfonate
CID 103574292

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol (CID 110005774) is 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol is Cc1cc(F)ccc1C(O)CS(=O)(=O)Cc1ccc(CO)cc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
The InChIKey is INTFCHKAOAESJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO4S/c1-12-8-15(18)6-7-16(12)17(20)11-23(21,22)10-14-4-2-13(9-19)3-5-14/h2-8,17,19-20H,9-11H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol has a molecular weight of 338.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfonyl]ethanol is sourced from PubChem (CID 110005774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).