4-phenoxy-1-thiophen-2-ylbutan-1-one

C14H14O2S — CID 43793631

IUPAC4-phenoxy-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1ccccc1)c1cccs1
InChIInChI=1S/C14H14O2S/c15-13(14-9-5-11-17-14)8-4-10-16-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2
InChIKeyNNQULSVZYMCSJW-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.79
Rot. Bonds6

About 4-phenoxy-1-thiophen-2-ylbutan-1-one

4-phenoxy-1-thiophen-2-ylbutan-1-one (PubChem CID 43793631) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-phenoxy-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-phenoxy-1-thiophen-2-ylbutan-1-one
PubChem CID43793631
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-phenoxy-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1ccccc1)c1cccs1
InChIInChI=1S/C14H14O2S/c15-13(14-9-5-11-17-14)8-4-10-16-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2
InChIKeyNNQULSVZYMCSJW-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.79
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-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
4-(4-oxo-4-thiophen-2-ylbutoxy)benzamide
CID 62031014
2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone
CID 43798587
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
4-(3-methylsulfonylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43807175
N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
CID 62030071
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
CID 60625178
1-thiophen-2-yl-4-(2,4,6-trimethylphenoxy)butan-1-one
CID 63567770

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-phenoxy-1-thiophen-2-ylbutan-1-one (CID 43793631) is 4-phenoxy-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-phenoxy-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-phenoxy-1-thiophen-2-ylbutan-1-one is O=C(CCCOc1ccccc1)c1cccs1.
What is the InChIKey of 4-phenoxy-1-thiophen-2-ylbutan-1-one?
The InChIKey is NNQULSVZYMCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c15-13(14-9-5-11-17-14)8-4-10-16-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2.
What are the key properties of 4-phenoxy-1-thiophen-2-ylbutan-1-one?
4-phenoxy-1-thiophen-2-ylbutan-1-one has a molecular weight of 246.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 43793631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).