1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one

C15H15ClOS — CID 61078054

IUPAC1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c16-13-8-6-12(7-9-13)11-14(17)3-1-4-15-5-2-10-18-15/h2,5-10H,1,3-4,11H2
InChIKeyVLAPIFDFUSUPFR-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.54
Rot. Bonds6

About 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one

1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one (PubChem CID 61078054) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
PubChem CID61078054
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c16-13-8-6-12(7-9-13)11-14(17)3-1-4-15-5-2-10-18-15/h2,5-10H,1,3-4,11H2
InChIKeyVLAPIFDFUSUPFR-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-one
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1-cyclopentyl-5-thiophen-2-ylpentan-2-one
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5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one (CID 61078054) is 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one is O=C(CCCc1cccs1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one?
The InChIKey is VLAPIFDFUSUPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c16-13-8-6-12(7-9-13)11-14(17)3-1-4-15-5-2-10-18-15/h2,5-10H,1,3-4,11H2.
What are the key properties of 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one?
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one has a molecular weight of 278.80 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 61078054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).