4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one

C17H20O3S — CID 43793680

IUPAC4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
SMILESCCCOc1ccc(OCCCC(=O)c2cccs2)cc1
InChIInChI=1S/C17H20O3S/c1-2-11-19-14-7-9-15(10-8-14)20-12-3-5-16(18)17-6-4-13-21-17/h4,6-10,13H,2-3,5,11-12H2,1H3
InChIKeyGFGFZOVPFQBVHB-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.58
Rot. Bonds9

About 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one

4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one (PubChem CID 43793680) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
PubChem CID43793680
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
SMILESCCCOc1ccc(OCCCC(=O)c2cccs2)cc1
InChIInChI=1S/C17H20O3S/c1-2-11-19-14-7-9-15(10-8-14)20-12-3-5-16(18)17-6-4-13-21-17/h4,6-10,13H,2-3,5,11-12H2,1H3
InChIKeyGFGFZOVPFQBVHB-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide
CID 62031014
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
propyl 4-oxo-4-thiophen-2-ylbutanoate
CID 78788503
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-(3-methyl-4-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793596
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
CID 62030071
4-(3-methylsulfonylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43807175

Frequently Asked Questions

What is the IUPAC name of 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one (CID 43793680) is 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one is CCCOc1ccc(OCCCC(=O)c2cccs2)cc1.
What is the InChIKey of 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one?
The InChIKey is GFGFZOVPFQBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-2-11-19-14-7-9-15(10-8-14)20-12-3-5-16(18)17-6-4-13-21-17/h4,6-10,13H,2-3,5,11-12H2,1H3.
What are the key properties of 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one?
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one has a molecular weight of 304.41 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 43793680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).