3,3-bis(2-chlorophenyl)cyclopentan-1-one

C17H14Cl2O — CID 142095772

IUPAC3,3-bis(2-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCC(c2ccccc2Cl)(c2ccccc2Cl)C1
InChIInChI=1S/C17H14Cl2O/c18-15-7-3-1-5-13(15)17(10-9-12(20)11-17)14-6-2-4-8-16(14)19/h1-8H,9-11H2
InChIKeyPBJXULGHRJRGPY-UHFFFAOYSA-N
MW305.20 g/mol
LogP5.03
Rot. Bonds2

About 3,3-bis(2-chlorophenyl)cyclopentan-1-one

3,3-bis(2-chlorophenyl)cyclopentan-1-one (PubChem CID 142095772) has the molecular formula C17H14Cl2O and a molecular weight of 305.20 g/mol. Its IUPAC name is 3,3-bis(2-chlorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3,3-bis(2-chlorophenyl)cyclopentan-1-one
PubChem CID142095772
Molecular FormulaC17H14Cl2O
Molecular Weight305.20 g/mol
Exact Mass304.04
IUPAC Name3,3-bis(2-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCC(c2ccccc2Cl)(c2ccccc2Cl)C1
InChIInChI=1S/C17H14Cl2O/c18-15-7-3-1-5-13(15)17(10-9-12(20)11-17)14-6-2-4-8-16(14)19/h1-8H,9-11H2
InChIKeyPBJXULGHRJRGPY-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.20
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-oxocyclopentane-1-carboxylic acid
CID 115042902
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
3-amino-3-(2-chlorophenyl)cyclobutan-1-one
CID 115020473
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267
3-(2-chlorophenyl)-3-isocyanatocyclobutan-1-one
CID 115033053
2'-chlorospiro[cyclohexane-4,9'-thioxanthene]-1-one
CID 12897976
2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
CID 25195026
3,3-bis(4-methylphenyl)cyclopentan-1-one
CID 58095636
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
7-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105478576
3-amino-3-(2-fluorophenyl)cyclopentan-1-one
CID 115019349
2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one
CID 10799279

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-chlorophenyl)cyclopentan-1-one?
The IUPAC name of 3,3-bis(2-chlorophenyl)cyclopentan-1-one (CID 142095772) is 3,3-bis(2-chlorophenyl)cyclopentan-1-one.
What is the SMILES notation for 3,3-bis(2-chlorophenyl)cyclopentan-1-one?
The canonical SMILES for 3,3-bis(2-chlorophenyl)cyclopentan-1-one is O=C1CCC(c2ccccc2Cl)(c2ccccc2Cl)C1.
What is the InChIKey of 3,3-bis(2-chlorophenyl)cyclopentan-1-one?
The InChIKey is PBJXULGHRJRGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O/c18-15-7-3-1-5-13(15)17(10-9-12(20)11-17)14-6-2-4-8-16(14)19/h1-8H,9-11H2.
What are the key properties of 3,3-bis(2-chlorophenyl)cyclopentan-1-one?
3,3-bis(2-chlorophenyl)cyclopentan-1-one has a molecular weight of 305.20 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-chlorophenyl)cyclopentan-1-one is sourced from PubChem (CID 142095772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).