1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one

C28H30O6 — CID 159782068

IUPAC1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1ccc(C(C)=O)cc1.COCCC(=O)c1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C16H16O3.C12H14O3/c1-11(17)12-3-4-14-10-15(6-5-13(14)9-12)16(18)7-8-19-2;1-9(13)10-3-5-11(6-4-10)12(14)7-8-15-2/h3-6,9-10H,7-8H2,1-2H3;3-6H,7-8H2,1-2H3
InChIKeyNHMFVEFIYLFCEI-UHFFFAOYSA-N
MW462.54 g/mol
LogP5.37
Rot. Bonds10

About 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one

1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one (PubChem CID 159782068) has the molecular formula C28H30O6 and a molecular weight of 462.54 g/mol. Its IUPAC name is 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one
PubChem CID159782068
Molecular FormulaC28H30O6
Molecular Weight462.54 g/mol
Exact Mass462.20
IUPAC Name1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1ccc(C(C)=O)cc1.COCCC(=O)c1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C16H16O3.C12H14O3/c1-11(17)12-3-4-14-10-15(6-5-13(14)9-12)16(18)7-8-19-2;1-9(13)10-3-5-11(6-4-10)12(14)7-8-15-2/h3-6,9-10H,7-8H2,1-2H3;3-6H,7-8H2,1-2H3
InChIKeyNHMFVEFIYLFCEI-UHFFFAOYSA-N
XLogP5.37
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethylanthraquinone
CID 6772
Dibenzo(b,def)chrysene-7,14-dione
CID 31412
Benz(a)anthracene-7,12-dione
CID 17253
2-methoxy-9-phenyl-1H-phenalen-1-one
CID 10085389
Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione
CID 8317
2-(4-Methyl-3-pentenyl)anthraquinone
CID 317256
5,12-Naphthacenedione
CID 14160
4,5-Pyrenedione
CID 160814
1,4-Chrysenedione
CID 180933
3-(2-Naphthalenyl)-1-phenyl-2-propen-1-one
CID 5712120
Methyl 3-phenanthryl ketone
CID 74867
1-Benzoylnaphthalene
CID 69503

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one?
The IUPAC name of 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one (CID 159782068) is 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one is COCCC(=O)c1ccc(C(C)=O)cc1.COCCC(=O)c1ccc2cc(C(C)=O)ccc2c1.
What is the InChIKey of 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one?
The InChIKey is NHMFVEFIYLFCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.C12H14O3/c1-11(17)12-3-4-14-10-15(6-5-13(14)9-12)16(18)7-8-19-2;1-9(13)10-3-5-11(6-4-10)12(14)7-8-15-2/h3-6,9-10H,7-8H2,1-2H3;3-6H,7-8H2,1-2H3.
What are the key properties of 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one?
1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one has a molecular weight of 462.54 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 159782068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).