1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one

C17H17FO2S — CID 104793476

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCOc1cccc(CC(=O)CSc2cccc(C)c2)c1F
InChIInChI=1S/C17H17FO2S/c1-12-5-3-7-15(9-12)21-11-14(19)10-13-6-4-8-16(20-2)17(13)18/h3-9H,10-11H2,1-2H3
InChIKeyAUEMWJJXRJMGNK-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.05
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one

1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one (PubChem CID 104793476) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
PubChem CID104793476
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCOc1cccc(CC(=O)CSc2cccc(C)c2)c1F
InChIInChI=1S/C17H17FO2S/c1-12-5-3-7-15(9-12)21-11-14(19)10-13-6-4-8-16(20-2)17(13)18/h3-9H,10-11H2,1-2H3
InChIKeyAUEMWJJXRJMGNK-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 104793473
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 104793475
1-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66086002
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(2-fluoro-3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 104793477
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 105405333
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
1-(3-bromophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-one
CID 66142964
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one
CID 66087741
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one (CID 104793476) is 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one is COc1cccc(CC(=O)CSc2cccc(C)c2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The InChIKey is AUEMWJJXRJMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-12-5-3-7-15(9-12)21-11-14(19)10-13-6-4-8-16(20-2)17(13)18/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one has a molecular weight of 304.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 104793476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).