1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one

C13H10Cl2OS — CID 43363559

IUPAC1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C13H10Cl2OS/c1-2-11(16)13-4-3-12(17-13)8-5-9(14)7-10(15)6-8/h3-7H,2H2,1H3
InChIKeyLESRAHNOWOCVCT-UHFFFAOYSA-N
MW285.20 g/mol
LogP5.31
Rot. Bonds3

About 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one

1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one (PubChem CID 43363559) has the molecular formula C13H10Cl2OS and a molecular weight of 285.20 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one
PubChem CID43363559
Molecular FormulaC13H10Cl2OS
Molecular Weight285.20 g/mol
Exact Mass283.98
IUPAC Name1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C13H10Cl2OS/c1-2-11(16)13-4-3-12(17-13)8-5-9(14)7-10(15)6-8/h3-7H,2H2,1H3
InChIKeyLESRAHNOWOCVCT-UHFFFAOYSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.20
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one (CID 43363559) is 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one is CCC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one?
The InChIKey is LESRAHNOWOCVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2OS/c1-2-11(16)13-4-3-12(17-13)8-5-9(14)7-10(15)6-8/h3-7H,2H2,1H3.
What are the key properties of 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one?
1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one has a molecular weight of 285.20 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 43363559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).