1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone

C12H15FO2S — CID 103395254

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H15FO2S/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7H,3,6,8H2,1-2H3
InChIKeyIZNUVTHLNZNICA-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.16
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone

1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone (PubChem CID 103395254) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
PubChem CID103395254
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H15FO2S/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7H,3,6,8H2,1-2H3
InChIKeyIZNUVTHLNZNICA-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2-methoxy-4,5-dimethylphenyl)-2-propylsulfanylethanone
CID 82053856
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 4524981
1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024596
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanol
CID 103395386

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone (CID 103395254) is 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone is CCCSCC(=O)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone?
The InChIKey is IZNUVTHLNZNICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-3-6-16-8-12(14)10-5-4-9(15-2)7-11(10)13/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone?
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone has a molecular weight of 242.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone is sourced from PubChem (CID 103395254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).