1-(4-benzoylphenoxy)-3-methylpentan-2-one

C19H20O3 — CID 71182680

IUPAC1-(4-benzoylphenoxy)-3-methylpentan-2-one
SMILESCCC(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-3-14(2)18(20)13-22-17-11-9-16(10-12-17)19(21)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3
InChIKeyQBEILUSMVKRARZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.91
Rot. Bonds7

About 1-(4-benzoylphenoxy)-3-methylpentan-2-one

1-(4-benzoylphenoxy)-3-methylpentan-2-one (PubChem CID 71182680) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-benzoylphenoxy)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(4-benzoylphenoxy)-3-methylpentan-2-one
PubChem CID71182680
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-(4-benzoylphenoxy)-3-methylpentan-2-one
SMILESCCC(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-3-14(2)18(20)13-22-17-11-9-16(10-12-17)19(21)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3
InChIKeyQBEILUSMVKRARZ-UHFFFAOYSA-N
XLogP3.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
CID 143798927
1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one
CID 20507347
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
CID 157442056
CID 157442056
1-(4-benzoylphenoxy)-3-butoxy-3-methylbutan-2-one
CID 134481998
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 8925530
[(E)-3-(4-benzoylphenoxy)-2-hydroxyprop-1-enyl]-trimethylazanium
CID 67392093
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenoxy)-3-methylpentan-2-one?
The IUPAC name of 1-(4-benzoylphenoxy)-3-methylpentan-2-one (CID 71182680) is 1-(4-benzoylphenoxy)-3-methylpentan-2-one.
What is the SMILES notation for 1-(4-benzoylphenoxy)-3-methylpentan-2-one?
The canonical SMILES for 1-(4-benzoylphenoxy)-3-methylpentan-2-one is CCC(C)C(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-benzoylphenoxy)-3-methylpentan-2-one?
The InChIKey is QBEILUSMVKRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-14(2)18(20)13-22-17-11-9-16(10-12-17)19(21)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 1-(4-benzoylphenoxy)-3-methylpentan-2-one?
1-(4-benzoylphenoxy)-3-methylpentan-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenoxy)-3-methylpentan-2-one is sourced from PubChem (CID 71182680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).