2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one

C13H13ClO2 — CID 14381767

IUPAC2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one
SMILESO=C(CC1CCCC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClO2/c14-11-6-4-9(5-7-11)13(16)8-10-2-1-3-12(10)15/h4-7,10H,1-3,8H2
InChIKeyKJEZWTBMKXQUSS-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.28
Rot. Bonds3

About 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one

2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one (PubChem CID 14381767) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one
PubChem CID14381767
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one
SMILESO=C(CC1CCCC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClO2/c14-11-6-4-9(5-7-11)13(16)8-10-2-1-3-12(10)15/h4-7,10H,1-3,8H2
InChIKeyKJEZWTBMKXQUSS-UHFFFAOYSA-N
XLogP3.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopentan-1-one
CID 97032971
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
CID 97032911
2-[2-(4-methylsulfonylphenyl)-2-oxoethyl]cyclohexan-1-one
CID 57046884
2-[2-(4-chlorophenyl)sulfanyl-3-methylbut-2-enyl]cyclohexan-1-one
CID 13379109
[(1R)-2-oxocyclohexyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7870143
2-[(4-chlorophenyl)methyl]cyclopentan-1-one;methyl formate
CID 174804298
cis-(1R,2S)-2-[2-(4-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722531
1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
CID 64639174
2-[1-(4-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79538176
2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one
CID 114792723
2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
CID 79569131

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one (CID 14381767) is 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one is O=C(CC1CCCC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one?
The InChIKey is KJEZWTBMKXQUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c14-11-6-4-9(5-7-11)13(16)8-10-2-1-3-12(10)15/h4-7,10H,1-3,8H2.
What are the key properties of 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one?
2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one has a molecular weight of 236.70 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one is sourced from PubChem (CID 14381767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).