2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone

C16H15FO3S — CID 64636678

IUPAC2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CS(=O)c1ccccc1F
InChIInChI=1S/C16H15FO3S/c1-11-7-8-12(15(9-11)20-2)14(18)10-21(19)16-6-4-3-5-13(16)17/h3-9H,10H2,1-2H3
InChIKeySBLSZXZMRQTQQL-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone

2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 64636678) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID64636678
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CS(=O)c1ccccc1F
InChIInChI=1S/C16H15FO3S/c1-11-7-8-12(15(9-11)20-2)14(18)10-21(19)16-6-4-3-5-13(16)17/h3-9H,10H2,1-2H3
InChIKeySBLSZXZMRQTQQL-UHFFFAOYSA-N
XLogP3.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)sulfinyl-1-(2-methoxyphenyl)ethanone
CID 64638325
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
CID 64640483
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
2-butylsulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64640336
1-(2-methoxy-4-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanone
CID 64635480
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636680
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone (CID 64636678) is 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)CS(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is SBLSZXZMRQTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-11-7-8-12(15(9-11)20-2)14(18)10-21(19)16-6-4-3-5-13(16)17/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone?
2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 306.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 64636678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).