1-(3-acetylphenoxy)-3-phenylpropan-2-one

C17H16O3 — CID 62030816

IUPAC1-(3-acetylphenoxy)-3-phenylpropan-2-one
SMILESCC(=O)c1cccc(OCC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H16O3/c1-13(18)15-8-5-9-17(11-15)20-12-16(19)10-14-6-3-2-4-7-14/h2-9,11H,10,12H2,1H3
InChIKeyLCGXQHHSVDANAE-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.08
Rot. Bonds6

About 1-(3-acetylphenoxy)-3-phenylpropan-2-one

1-(3-acetylphenoxy)-3-phenylpropan-2-one (PubChem CID 62030816) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(3-acetylphenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(3-acetylphenoxy)-3-phenylpropan-2-one
PubChem CID62030816
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-(3-acetylphenoxy)-3-phenylpropan-2-one
SMILESCC(=O)c1cccc(OCC(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H16O3/c1-13(18)15-8-5-9-17(11-15)20-12-16(19)10-14-6-3-2-4-7-14/h2-9,11H,10,12H2,1H3
InChIKeyLCGXQHHSVDANAE-UHFFFAOYSA-N
XLogP3.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-acetylphenoxy)-3-phenylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
3-[3-(3-cyanophenyl)-2-oxopropoxy]benzoic acid
CID 159873424
ethyl 5-(3-acetylphenoxy)-4-oxopentanoate
CID 103484965
(4-ethylphenyl) 2-(3-acetylphenoxy)acetate
CID 78769344
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365218

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(3-acetylphenoxy)-3-phenylpropan-2-one (CID 62030816) is 1-(3-acetylphenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(3-acetylphenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(3-acetylphenoxy)-3-phenylpropan-2-one is CC(=O)c1cccc(OCC(=O)Cc2ccccc2)c1.
What is the InChIKey of 1-(3-acetylphenoxy)-3-phenylpropan-2-one?
The InChIKey is LCGXQHHSVDANAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-13(18)15-8-5-9-17(11-15)20-12-16(19)10-14-6-3-2-4-7-14/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-(3-acetylphenoxy)-3-phenylpropan-2-one?
1-(3-acetylphenoxy)-3-phenylpropan-2-one has a molecular weight of 268.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 62030816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).