3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one

C16H24O2 — CID 116708620

IUPAC3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one
SMILESCCOC(C(=O)Cc1ccc(CC)cc1)C(C)C
InChIInChI=1S/C16H24O2/c1-5-13-7-9-14(10-8-13)11-15(17)16(12(3)4)18-6-2/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeySTCSODZADMQKCZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.42
Rot. Bonds7

About 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one

3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one (PubChem CID 116708620) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one
PubChem CID116708620
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one
SMILESCCOC(C(=O)Cc1ccc(CC)cc1)C(C)C
InChIInChI=1S/C16H24O2/c1-5-13-7-9-14(10-8-13)11-15(17)16(12(3)4)18-6-2/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeySTCSODZADMQKCZ-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
1-(4-ethylphenyl)-3,4-dimethylpentan-2-one
CID 114963410
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
CID 116708613
3-ethoxy-1-(4-iodophenyl)butan-2-one
CID 58079389
1-(2-chlorophenyl)-3-ethoxy-4-methylpentan-2-one
CID 116708752
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
1,1-diethoxy-3-(4-propan-2-ylphenyl)propan-2-one
CID 79494965
4-ethoxy-5-methyl-1-thiophen-3-ylhexan-3-one
CID 116708679
2-(4-ethylphenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 99626723
5-ethoxy-6-methylhept-1-en-4-one
CID 116708606
3-ethoxy-1-phenylpentan-2-one
CID 116707454
2-ethoxy-3-methylbutanoate
CID 23183641

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one (CID 116708620) is 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one is CCOC(C(=O)Cc1ccc(CC)cc1)C(C)C.
What is the InChIKey of 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one?
The InChIKey is STCSODZADMQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-13-7-9-14(10-8-13)11-15(17)16(12(3)4)18-6-2/h7-10,12,16H,5-6,11H2,1-4H3.
What are the key properties of 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one?
3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one has a molecular weight of 248.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-ethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 116708620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).