2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol

C16H17FO3S — CID 134849149

IUPAC2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FO3S/c1-12-3-9-15(10-4-12)21(19,20)11-16(2,18)13-5-7-14(17)8-6-13/h3-10,18H,11H2,1-2H3
InChIKeyWEINFQJZTDMMKD-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol

2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol (PubChem CID 134849149) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
PubChem CID134849149
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FO3S/c1-12-3-9-15(10-4-12)21(19,20)11-16(2,18)13-5-7-14(17)8-6-13/h3-10,18H,11H2,1-2H3
InChIKeyWEINFQJZTDMMKD-UHFFFAOYSA-N
XLogP2.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzonitrile
CID 52941278
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
US9771320, Example 10
CID 118212056

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol (CID 134849149) is 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol is Cc1ccc(S(=O)(=O)CC(C)(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is WEINFQJZTDMMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c1-12-3-9-15(10-4-12)21(19,20)11-16(2,18)13-5-7-14(17)8-6-13/h3-10,18H,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 308.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 134849149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).