4-(4-chlorophenoxy)cyclohexan-1-one

C12H13ClO2 — CID 58923771

IUPAC4-(4-chlorophenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,12H,3-4,7-8H2
InChIKeyPPYTUKBIAMTRBE-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.23
Rot. Bonds2

About 4-(4-chlorophenoxy)cyclohexan-1-one

4-(4-chlorophenoxy)cyclohexan-1-one (PubChem CID 58923771) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenoxy)cyclohexan-1-one
PubChem CID58923771
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name4-(4-chlorophenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,12H,3-4,7-8H2
InChIKeyPPYTUKBIAMTRBE-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenoxy)cyclohexan-1-one
CID 22467175
4-(4-hydroxyphenoxy)cyclohexan-1-one
CID 18359489
4-(4-oxocyclohexyl)oxybenzamide
CID 18445301
4-(4-chlorophenoxy)azetidin-2-one
CID 57320787
4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
CID 117051630
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
3-(4-chlorophenoxy)cyclohexan-1-ol
CID 123350797
4-(4-chlorophenoxy)azepane
CID 63904264
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
3-(4-chlorophenoxy)cyclobutane-1-carboxylic acid
CID 170716508
4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)cyclohexan-1-one?
The IUPAC name of 4-(4-chlorophenoxy)cyclohexan-1-one (CID 58923771) is 4-(4-chlorophenoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(4-chlorophenoxy)cyclohexan-1-one?
The canonical SMILES for 4-(4-chlorophenoxy)cyclohexan-1-one is O=C1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenoxy)cyclohexan-1-one?
The InChIKey is PPYTUKBIAMTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-2,5-6,12H,3-4,7-8H2.
What are the key properties of 4-(4-chlorophenoxy)cyclohexan-1-one?
4-(4-chlorophenoxy)cyclohexan-1-one has a molecular weight of 224.69 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)cyclohexan-1-one is sourced from PubChem (CID 58923771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).