2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one

C16H24O3 — CID 114208468

IUPAC2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
SMILESCCC(CC)COC(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-5-13(6-2)11-19-12(3)16(17)14-7-9-15(18-4)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyKOZPRZKZCRYLSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.72
Rot. Bonds8

About 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one

2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 114208468) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
PubChem CID114208468
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
SMILESCCC(CC)COC(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-5-13(6-2)11-19-12(3)16(17)14-7-9-15(18-4)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyKOZPRZKZCRYLSU-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
2-ethylsulfonyl-1-(4-methoxyphenyl)butan-1-one
CID 102549663
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] methanesulfonate
CID 13311957
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
2-[3-(4-tert-butylphenyl)-2-methylpropoxy]-1-(4-methoxyphenyl)propan-1-one
CID 142188099
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one (CID 114208468) is 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one is CCC(CC)COC(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is KOZPRZKZCRYLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-13(6-2)11-19-12(3)16(17)14-7-9-15(18-4)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one?
2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 114208468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).