2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one

C16H24O3 — CID 116747099

IUPAC2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
SMILESCCCOc1ccc(C(=O)C(C)(CC)OCC)cc1
InChIInChI=1S/C16H24O3/c1-5-12-18-14-10-8-13(9-11-14)15(17)16(4,6-2)19-7-3/h8-11H,5-7,12H2,1-4H3
InChIKeyRITWWEWOKBVVGU-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.86
Rot. Bonds8

About 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one

2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one (PubChem CID 116747099) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
PubChem CID116747099
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
SMILESCCCOc1ccc(C(=O)C(C)(CC)OCC)cc1
InChIInChI=1S/C16H24O3/c1-5-12-18-14-10-8-13(9-11-14)15(17)16(4,6-2)19-7-3/h8-11H,5-7,12H2,1-4H3
InChIKeyRITWWEWOKBVVGU-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-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-ethoxy-2-methyl-1-phenylbutan-1-one
CID 116746857
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 79053644
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
CID 116747344
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
CID 82101917

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one?
The IUPAC name of 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one (CID 116747099) is 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one is CCCOc1ccc(C(=O)C(C)(CC)OCC)cc1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one?
The InChIKey is RITWWEWOKBVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-12-18-14-10-8-13(9-11-14)15(17)16(4,6-2)19-7-3/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one?
2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one is sourced from PubChem (CID 116747099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).