2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one

C16H24O3 — CID 116747344

IUPAC2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
SMILESCCOc1ccc(C(=O)C(CC)(CC)OCC)cc1
InChIInChI=1S/C16H24O3/c1-5-16(6-2,19-8-4)15(17)13-9-11-14(12-10-13)18-7-3/h9-12H,5-8H2,1-4H3
InChIKeyVCGMVWYGWZDDTG-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.86
Rot. Bonds8

About 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one

2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one (PubChem CID 116747344) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
PubChem CID116747344
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one
SMILESCCOc1ccc(C(=O)C(CC)(CC)OCC)cc1
InChIInChI=1S/C16H24O3/c1-5-16(6-2,19-8-4)15(17)13-9-11-14(12-10-13)18-7-3/h9-12H,5-8H2,1-4H3
InChIKeyVCGMVWYGWZDDTG-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

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Related Compounds

2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one
CID 116747186
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
CID 116747099
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79060041
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
CID 81330105
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one?
The IUPAC name of 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one (CID 116747344) is 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one.
What is the SMILES notation for 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one?
The canonical SMILES for 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one is CCOc1ccc(C(=O)C(CC)(CC)OCC)cc1.
What is the InChIKey of 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one?
The InChIKey is VCGMVWYGWZDDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-16(6-2,19-8-4)15(17)13-9-11-14(12-10-13)18-7-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-1-one?
2-ethoxy-1-(4-ethoxyphenyl)-2-ethylbutan-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-1-(4-ethoxyphenyl)-2-ethylbutan-1-one is sourced from PubChem (CID 116747344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).