1-(4-acetyl-2-methoxyphenoxy)butan-2-one

C13H16O4 — CID 62041056

IUPAC1-(4-acetyl-2-methoxyphenoxy)butan-2-one
SMILESCCC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C13H16O4/c1-4-11(15)8-17-12-6-5-10(9(2)14)7-13(12)16-3/h5-7H,4,8H2,1-3H3
InChIKeyZNJMHDDGKBCPQL-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.26
Rot. Bonds6

About 1-(4-acetyl-2-methoxyphenoxy)butan-2-one

1-(4-acetyl-2-methoxyphenoxy)butan-2-one (PubChem CID 62041056) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-acetyl-2-methoxyphenoxy)butan-2-one.

Molecular Properties

Compound Name1-(4-acetyl-2-methoxyphenoxy)butan-2-one
PubChem CID62041056
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-(4-acetyl-2-methoxyphenoxy)butan-2-one
SMILESCCC(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C13H16O4/c1-4-11(15)8-17-12-6-5-10(9(2)14)7-13(12)16-3/h5-7H,4,8H2,1-3H3
InChIKeyZNJMHDDGKBCPQL-UHFFFAOYSA-N
XLogP2.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(2-oxobutoxy)benzamide
CID 62039571
1-(4-acetyl-2-chlorophenoxy)butan-2-one
CID 99578755
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
2-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 75399586

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2-methoxyphenoxy)butan-2-one?
The IUPAC name of 1-(4-acetyl-2-methoxyphenoxy)butan-2-one (CID 62041056) is 1-(4-acetyl-2-methoxyphenoxy)butan-2-one.
What is the SMILES notation for 1-(4-acetyl-2-methoxyphenoxy)butan-2-one?
The canonical SMILES for 1-(4-acetyl-2-methoxyphenoxy)butan-2-one is CCC(=O)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 1-(4-acetyl-2-methoxyphenoxy)butan-2-one?
The InChIKey is ZNJMHDDGKBCPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-11(15)8-17-12-6-5-10(9(2)14)7-13(12)16-3/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-(4-acetyl-2-methoxyphenoxy)butan-2-one?
1-(4-acetyl-2-methoxyphenoxy)butan-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2-methoxyphenoxy)butan-2-one is sourced from PubChem (CID 62041056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).