3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one

C15H21FO3 — CID 116708613

IUPAC3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
SMILESCCOC(C(=O)Cc1ccc(OC)c(F)c1)C(C)C
InChIInChI=1S/C15H21FO3/c1-5-19-15(10(2)3)13(17)9-11-6-7-14(18-4)12(16)8-11/h6-8,10,15H,5,9H2,1-4H3
InChIKeyMPENWTBHPYFEPL-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.01
Rot. Bonds7

About 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one

3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one (PubChem CID 116708613) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
PubChem CID116708613
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
SMILESCCOC(C(=O)Cc1ccc(OC)c(F)c1)C(C)C
InChIInChI=1S/C15H21FO3/c1-5-19-15(10(2)3)13(17)9-11-6-7-14(18-4)12(16)8-11/h6-8,10,15H,5,9H2,1-4H3
InChIKeyMPENWTBHPYFEPL-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
CID 116707093
1-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586735
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
3-amino-1-(3-fluoro-4-methoxyphenyl)hex-5-yn-2-one
CID 116606481
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609589
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one?
The IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one (CID 116708613) is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one?
The canonical SMILES for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one is CCOC(C(=O)Cc1ccc(OC)c(F)c1)C(C)C.
What is the InChIKey of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one?
The InChIKey is MPENWTBHPYFEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-5-19-15(10(2)3)13(17)9-11-6-7-14(18-4)12(16)8-11/h6-8,10,15H,5,9H2,1-4H3.
What are the key properties of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one?
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one has a molecular weight of 268.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 116708613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).