1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone

C17H26O3 — CID 63531574

IUPAC1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
SMILESCCCCC(CC)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C17H26O3/c1-5-7-8-14(6-2)12-20-16-10-9-15(13(3)18)11-17(16)19-4/h9-11,14H,5-8,12H2,1-4H3
InChIKeyYHHODZNEIDBYGN-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.49
Rot. Bonds9

About 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone

1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone (PubChem CID 63531574) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
PubChem CID63531574
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
SMILESCCCCC(CC)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C17H26O3/c1-5-7-8-14(6-2)12-20-16-10-9-15(13(3)18)11-17(16)19-4/h9-11,14H,5-8,12H2,1-4H3
InChIKeyYHHODZNEIDBYGN-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(bromomethyl)pentoxy]-3-methoxyphenyl]ethanone
CID 65010866
4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 76917560
1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene
CID 175893190
1-[5-bromo-2-(2-ethylhexoxy)phenyl]ethanone
CID 63530428
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
ethyl 3-amino-4-(2-ethylhexoxy)benzoate
CID 63423326
1-[4-(2-bromo-3,3,3-trifluoropropoxy)-3-methoxyphenyl]ethanone
CID 64759126
[4-[4-[4-[4-(2-butylhexoxy)-2,5-dimethoxybenzoyl]oxybenzoyl]oxy-3-methoxyphenoxy]carbonylphenyl] 4-(2-ethylbutoxy)-2,5-dimethoxybenzoate
CID 89221169
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
CID 86054724

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone (CID 63531574) is 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone is CCCCC(CC)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone?
The InChIKey is YHHODZNEIDBYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-7-8-14(6-2)12-20-16-10-9-15(13(3)18)11-17(16)19-4/h9-11,14H,5-8,12H2,1-4H3.
What are the key properties of 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone?
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone has a molecular weight of 278.39 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone is sourced from PubChem (CID 63531574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).