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

C14H13ClO2S — CID 62030266

IUPAC4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H13ClO2S/c15-11-5-1-2-7-13(11)17-9-3-6-12(16)14-8-4-10-18-14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyTZOQVEMHOBJGMG-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.44
Rot. Bonds6

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

4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one (PubChem CID 62030266) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
PubChem CID62030266
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H13ClO2S/c15-11-5-1-2-7-13(11)17-9-3-6-12(16)14-8-4-10-18-14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyTZOQVEMHOBJGMG-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.44
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-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 60656845
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
CID 60625178
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 107659455
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
4-(4-chloro-2,6-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 63567072
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557
2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
CID 31741424
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one (CID 62030266) is 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one is O=C(CCCOc1ccccc1Cl)c1cccs1.
What is the InChIKey of 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one?
The InChIKey is TZOQVEMHOBJGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c15-11-5-1-2-7-13(11)17-9-3-6-12(16)14-8-4-10-18-14/h1-2,4-5,7-8,10H,3,6,9H2.
What are the key properties of 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one?
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one has a molecular weight of 280.78 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 62030266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).