1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one

C16H15FO4S — CID 51174584

IUPAC1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO4S/c1-11(16(18)12-3-5-13(17)6-4-12)21-14-7-9-15(10-8-14)22(2,19)20/h3-11H,1-2H3
InChIKeyWSPIWPIXWHPCQS-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one

1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one (PubChem CID 51174584) has the molecular formula C16H15FO4S and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one
PubChem CID51174584
Molecular FormulaC16H15FO4S
Molecular Weight322.36 g/mol
Exact Mass322.07
IUPAC Name1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15FO4S/c1-11(16(18)12-3-5-13(17)6-4-12)21-14-7-9-15(10-8-14)22(2,19)20/h3-11H,1-2H3
InChIKeyWSPIWPIXWHPCQS-UHFFFAOYSA-N
XLogP2.88
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
CID 55358901
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43412325
1-(3,4-dimethylphenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43413219
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
2-(4-fluorophenoxy)propanoic acid
CID 3872140
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 7744756
2-(1,3-benzodioxol-5-yloxy)-1-(4-fluorophenyl)propan-1-one
CID 43413295
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983960
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one (CID 51174584) is 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one is CC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one?
The InChIKey is WSPIWPIXWHPCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4S/c1-11(16(18)12-3-5-13(17)6-4-12)21-14-7-9-15(10-8-14)22(2,19)20/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one?
1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one has a molecular weight of 322.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one is sourced from PubChem (CID 51174584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).