1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one

C13H11ClOS — CID 62622059

IUPAC1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H11ClOS/c14-13-7-6-12(16-13)9-11(15)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyFSDVSMQSZNGMMO-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.76
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one

1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one (PubChem CID 62622059) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one
PubChem CID62622059
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H11ClOS/c14-13-7-6-12(16-13)9-11(15)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyFSDVSMQSZNGMMO-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(5-chlorothiophen-2-yl)-4-pyridin-4-ylbutan-2-one
CID 105088928
1-(5-chlorothiophen-2-yl)tridecan-2-one
CID 114967561
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
1-(5-chlorothiophen-2-yl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 65138405
4-(tert-butylamino)-1-(5-chlorothiophen-2-yl)butan-2-one
CID 116557955
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
CID 116601595
2-(5-chlorothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanone
CID 114967517
1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559351
1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967597
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
CID 35603755

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one (CID 62622059) is 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one?
The InChIKey is FSDVSMQSZNGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c14-13-7-6-12(16-13)9-11(15)8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one?
1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one has a molecular weight of 250.75 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 62622059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).