2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one

C15H22O3 — CID 116747186

IUPAC2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22O3/c1-5-15(6-2,18-7-3)14(16)12-8-10-13(17-4)11-9-12/h8-11H,5-7H2,1-4H3
InChIKeyHCBHAKGKGPXNLF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.47
Rot. Bonds7

About 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one

2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one (PubChem CID 116747186) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one
PubChem CID116747186
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22O3/c1-5-15(6-2,18-7-3)14(16)12-8-10-13(17-4)11-9-12/h8-11H,5-7H2,1-4H3
InChIKeyHCBHAKGKGPXNLF-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
CID 116747344
2-ethoxy-2-ethyl-1-(furan-3-yl)butan-1-one
CID 116747226
2-hydroxy-2-(4-methoxybenzoyl)butanenitrile
CID 88797611
2,2,2-triiodo-1-(4-methoxyphenyl)ethanone
CID 86080929
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
2,2-diamino-1-(4-methoxyphenyl)pentan-1-one
CID 163211686
2-chloro-1-(4-methoxyphenyl)-2-methylsulfonylbutan-1-one
CID 102549800
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one
CID 116747189
1-(4-methoxyphenyl)-2-methyl-2-trimethylsilyloxypropan-1-one
CID 101490737
2-ethyl-1-(4-fluorophenyl)-2-methoxybutan-1-one
CID 116747607
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one?
The IUPAC name of 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one (CID 116747186) is 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one is CCOC(CC)(CC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one?
The InChIKey is HCBHAKGKGPXNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-15(6-2,18-7-3)14(16)12-8-10-13(17-4)11-9-12/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one?
2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 116747186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).