2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone

C17H16O3 — CID 60625443

IUPAC2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(OCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O3/c1-12-3-5-15(6-4-12)17(19)11-20-16-9-7-14(8-10-16)13(2)18/h3-10H,11H2,1-2H3
InChIKeyVOOXDDIGRMUGQR-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone

2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone (PubChem CID 60625443) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
PubChem CID60625443
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
SMILESCC(=O)c1ccc(OCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16O3/c1-12-3-5-15(6-4-12)17(19)11-20-16-9-7-14(8-10-16)13(2)18/h3-10H,11H2,1-2H3
InChIKeyVOOXDDIGRMUGQR-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
CID 23408905
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
2-[4-[4-(3,3-dichloroprop-2-enoxy)phenoxy]phenoxy]-1-(4-methylphenyl)ethanone
CID 139900510
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
2-(4-acetylphenoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054389
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
2-bromo-1-(4-methylphenyl)ethanone;ethane;1-(4-methylphenyl)ethanone
CID 143457171

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone (CID 60625443) is 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone is CC(=O)c1ccc(OCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone?
The InChIKey is VOOXDDIGRMUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12-3-5-15(6-4-12)17(19)11-20-16-9-7-14(8-10-16)13(2)18/h3-10H,11H2,1-2H3.
What are the key properties of 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone?
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone has a molecular weight of 268.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 60625443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).