1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one

C16H15FO3S — CID 64636130

IUPAC1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
SMILESCOc1ccc(S(=O)CC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-20-15-6-8-16(9-7-15)21(19)11-14(18)10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3
InChIKeyZFUZGPCILAIIFU-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.75
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one

1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one (PubChem CID 64636130) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
PubChem CID64636130
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
SMILESCOc1ccc(S(=O)CC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-20-15-6-8-16(9-7-15)21(19)11-14(18)10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3
InChIKeyZFUZGPCILAIIFU-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
CID 115477416
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
CID 63793167
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
2-[3-(4-fluorophenyl)-2-oxopropyl]sulfinyl-N,N-dimethylacetamide
CID 114233158
4-[(4-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 60710231
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one (CID 64636130) is 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one is COc1ccc(S(=O)CC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one?
The InChIKey is ZFUZGPCILAIIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-20-15-6-8-16(9-7-15)21(19)11-14(18)10-12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one?
1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one has a molecular weight of 306.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one is sourced from PubChem (CID 64636130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).