2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone

C17H26O2 — CID 114208464

IUPAC2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCC(CC)COCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26O2/c1-6-15(7-2)10-19-11-16(18)17-13(4)8-12(3)9-14(17)5/h8-9,15H,6-7,10-11H2,1-5H3
InChIKeyDLFPUVDBWWFBGH-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.25
Rot. Bonds7

About 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone

2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 114208464) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID114208464
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCC(CC)COCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26O2/c1-6-15(7-2)10-19-11-16(18)17-13(4)8-12(3)9-14(17)5/h8-9,15H,6-7,10-11H2,1-5H3
InChIKeyDLFPUVDBWWFBGH-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone (CID 114208464) is 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone is CCC(CC)COCC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is DLFPUVDBWWFBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-15(7-2)10-19-11-16(18)17-13(4)8-12(3)9-14(17)5/h8-9,15H,6-7,10-11H2,1-5H3.
What are the key properties of 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone?
2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 262.39 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 114208464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).