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

C13H17ClOS — CID 43161016

IUPAC1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
SMILESO=C(CCC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClOS/c14-13-9-8-12(16-13)11(15)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyRKJLTISPSOMOSM-UHFFFAOYSA-N
MW256.80 g/mol
LogP4.94
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one (PubChem CID 43161016) has the molecular formula C13H17ClOS and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
PubChem CID43161016
Molecular FormulaC13H17ClOS
Molecular Weight256.80 g/mol
Exact Mass256.07
IUPAC Name1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
SMILESO=C(CCC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClOS/c14-13-9-8-12(16-13)11(15)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyRKJLTISPSOMOSM-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60644172
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
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4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
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3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one
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CID 60984356
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
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4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
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1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone
CID 2429528
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one (CID 43161016) is 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one is O=C(CCC1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one?
The InChIKey is RKJLTISPSOMOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClOS/c14-13-9-8-12(16-13)11(15)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one?
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one has a molecular weight of 256.80 g/mol, XLogP of 4.94, 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-cyclohexylpropan-1-one is sourced from PubChem (CID 43161016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).