2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone

C17H16O4 — CID 60627046

IUPAC2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)c1ccccc1
InChIInChI=1S/C17H16O4/c1-12(18)14-8-9-16(17(10-14)20-2)21-11-15(19)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyVKWLQZOCGXOGPC-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone

2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone (PubChem CID 60627046) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
PubChem CID60627046
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)c1ccccc1
InChIInChI=1S/C17H16O4/c1-12(18)14-8-9-16(17(10-14)20-2)21-11-15(19)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyVKWLQZOCGXOGPC-UHFFFAOYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
CID 60606157
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55327013
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
CID 55643256
[(E)-3-phenylprop-2-enyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526137
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone (CID 60627046) is 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone is COc1cc(C(C)=O)ccc1OCC(=O)c1ccccc1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone?
The InChIKey is VKWLQZOCGXOGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12(18)14-8-9-16(17(10-14)20-2)21-11-15(19)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone?
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone has a molecular weight of 284.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone is sourced from PubChem (CID 60627046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).