1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one

C21H24O2 — CID 159588283

IUPAC1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24O2/c1-2-21(22)18-10-14-20(15-11-18)23-19-12-8-17(9-13-19)16-6-4-3-5-7-16/h8-16H,2-7H2,1H3
InChIKeyMJXHIGMAABZKIR-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.12
Rot. Bonds5

About 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one

1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one (PubChem CID 159588283) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
PubChem CID159588283
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24O2/c1-2-21(22)18-10-14-20(15-11-18)23-19-12-8-17(9-13-19)16-6-4-3-5-7-16/h8-16H,2-7H2,1H3
InChIKeyMJXHIGMAABZKIR-UHFFFAOYSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
1-(4-cyclohexylphenyl)octan-1-one
CID 63491113
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 18336251
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 23931842
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
3-(4-cyclohexylphenoxy)benzoic acid
CID 15225599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one (CID 159588283) is 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one?
The InChIKey is MJXHIGMAABZKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-2-21(22)18-10-14-20(15-11-18)23-19-12-8-17(9-13-19)16-6-4-3-5-7-16/h8-16H,2-7H2,1H3.
What are the key properties of 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one?
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one has a molecular weight of 308.42 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one is sourced from PubChem (CID 159588283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).