1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one

C24H28O4 — CID 138403046

IUPAC1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(C2(c3ccc(OCC(C)=O)cc3)CCCCC2)cc1
InChIInChI=1S/C24H28O4/c1-18(25)16-27-22-10-6-20(7-11-22)24(14-4-3-5-15-24)21-8-12-23(13-9-21)28-17-19(2)26/h6-13H,3-5,14-17H2,1-2H3
InChIKeyCQFIFPNDGYWUBK-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.87
Rot. Bonds8

About 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one

1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one (PubChem CID 138403046) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
PubChem CID138403046
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(C2(c3ccc(OCC(C)=O)cc3)CCCCC2)cc1
InChIInChI=1S/C24H28O4/c1-18(25)16-27-22-10-6-20(7-11-22)24(14-4-3-5-15-24)21-8-12-23(13-9-21)28-17-19(2)26/h6-13H,3-5,14-17H2,1-2H3
InChIKeyCQFIFPNDGYWUBK-UHFFFAOYSA-N
XLogP4.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-[4-(3-oxobutanoyloxy)phenyl]cycloheptyl]phenyl] 3-oxobutanoate
CID 139704599
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-[4-(4-acetyloxybenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-acetyloxybenzoate
CID 142729677
1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
CID 20718251
1-prop-2-enoxy-4-[1-(4-prop-2-enoxyphenyl)cyclopentyl]benzene
CID 23117522
1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
CID 140897916
[4-[1-[4-(4-ethylbenzoyl)oxyphenyl]cyclohexyl]phenyl] 4-ethylbenzoate
CID 58453565
1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
CID 117366200
1-(4-ethylphenoxy)propan-2-one
CID 21325379

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one?
The IUPAC name of 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one (CID 138403046) is 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one.
What is the SMILES notation for 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one?
The canonical SMILES for 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one is CC(=O)COc1ccc(C2(c3ccc(OCC(C)=O)cc3)CCCCC2)cc1.
What is the InChIKey of 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one?
The InChIKey is CQFIFPNDGYWUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-18(25)16-27-22-10-6-20(7-11-22)24(14-4-3-5-15-24)21-8-12-23(13-9-21)28-17-19(2)26/h6-13H,3-5,14-17H2,1-2H3.
What are the key properties of 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one?
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one has a molecular weight of 380.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one is sourced from PubChem (CID 138403046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).