4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one

C15H15FO2S — CID 107659455

IUPAC4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
SMILESCc1cccc(OCCCC(=O)c2cccs2)c1F
InChIInChI=1S/C15H15FO2S/c1-11-5-2-7-13(15(11)16)18-9-3-6-12(17)14-8-4-10-19-14/h2,4-5,7-8,10H,3,6,9H2,1H3
InChIKeyJVTJPZHHHKEBHK-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.24
Rot. Bonds6

About 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one

4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one (PubChem CID 107659455) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
PubChem CID107659455
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
SMILESCc1cccc(OCCCC(=O)c2cccs2)c1F
InChIInChI=1S/C15H15FO2S/c1-11-5-2-7-13(15(11)16)18-9-3-6-12(17)14-8-4-10-19-14/h2,4-5,7-8,10H,3,6,9H2,1H3
InChIKeyJVTJPZHHHKEBHK-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.24
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

4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 63038347
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557
methyl 4-(2-fluoro-3-methylphenoxy)butanoate
CID 103988294
4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 60656845
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
1-thiophen-2-yl-4-(2,4,6-trimethylphenoxy)butan-1-one
CID 63567770
4-(4-chloro-2,6-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 63567072
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
CID 60625178
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one (CID 107659455) is 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one is Cc1cccc(OCCCC(=O)c2cccs2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one?
The InChIKey is JVTJPZHHHKEBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2S/c1-11-5-2-7-13(15(11)16)18-9-3-6-12(17)14-8-4-10-19-14/h2,4-5,7-8,10H,3,6,9H2,1H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one?
4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one has a molecular weight of 278.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 107659455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).