4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one

C14H12Cl2O2S — CID 60656845

IUPAC4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C14H12Cl2O2S/c15-10-4-1-6-12(14(10)16)18-8-2-5-11(17)13-7-3-9-19-13/h1,3-4,6-7,9H,2,5,8H2
InChIKeyVAHZIJNULCACOX-UHFFFAOYSA-N
MW315.22 g/mol
LogP5.10
Rot. Bonds6

About 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one

4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one (PubChem CID 60656845) has the molecular formula C14H12Cl2O2S and a molecular weight of 315.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
PubChem CID60656845
Molecular FormulaC14H12Cl2O2S
Molecular Weight315.22 g/mol
Exact Mass313.99
IUPAC Name4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCOc1cccc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C14H12Cl2O2S/c15-10-4-1-6-12(14(10)16)18-8-2-5-11(17)13-7-3-9-19-13/h1,3-4,6-7,9H,2,5,8H2
InChIKeyVAHZIJNULCACOX-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.22
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
CID 60625178
4-(2,3-difluorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 63038347
4-(2-fluoro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 107659455
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
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-(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
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-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one (CID 60656845) is 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one is O=C(CCCOc1cccc(Cl)c1Cl)c1cccs1.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one?
The InChIKey is VAHZIJNULCACOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2S/c15-10-4-1-6-12(14(10)16)18-8-2-5-11(17)13-7-3-9-19-13/h1,3-4,6-7,9H,2,5,8H2.
What are the key properties of 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one?
4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one has a molecular weight of 315.22 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 60656845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).