1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one

C15H19ClO2 — CID 114192959

IUPAC1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one
SMILESO=C(CCC1CCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO2/c16-13-6-9-15(10-7-13)18-11-14(17)8-5-12-3-1-2-4-12/h6-7,9-10,12H,1-5,8,11H2
InChIKeyIFWVQQSZTITIAL-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one

1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one (PubChem CID 114192959) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one
PubChem CID114192959
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one
SMILESO=C(CCC1CCCC1)COc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO2/c16-13-6-9-15(10-7-13)18-11-14(17)8-5-12-3-1-2-4-12/h6-7,9-10,12H,1-5,8,11H2
InChIKeyIFWVQQSZTITIAL-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134
1-(3-chlorophenoxy)-4-cyclopropylbutan-2-one
CID 105107899
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CID 836188
2-(4-chlorophenoxy)-N-cyclooctylacetamide
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1-(4-chlorophenoxy)-5-methylhexan-2-one
CID 115693509
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-3-cyclopentyl-N-phenylpropanamide
CID 42706790
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638
N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide
CID 11300134
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chlorophenyl)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
CID 17137705
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one?
The IUPAC name of 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one (CID 114192959) is 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one.
What is the SMILES notation for 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one?
The canonical SMILES for 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one is O=C(CCC1CCCC1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one?
The InChIKey is IFWVQQSZTITIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c16-13-6-9-15(10-7-13)18-11-14(17)8-5-12-3-1-2-4-12/h6-7,9-10,12H,1-5,8,11H2.
What are the key properties of 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one?
1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one has a molecular weight of 266.77 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one is sourced from PubChem (CID 114192959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).