1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one

C12H15FO2 — CID 83226180

IUPAC1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
SMILESCCOC(C(C)=O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H15FO2/c1-4-15-12(9(3)14)10-6-5-8(2)11(13)7-10/h5-7,12H,4H2,1-3H3
InChIKeyPEUZYCIBZQDCNE-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.80
Rot. Bonds4

About 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one

1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one (PubChem CID 83226180) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
PubChem CID83226180
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
SMILESCCOC(C(C)=O)c1ccc(C)c(F)c1
InChIInChI=1S/C12H15FO2/c1-4-15-12(9(3)14)10-6-5-8(2)11(13)7-10/h5-7,12H,4H2,1-3H3
InChIKeyPEUZYCIBZQDCNE-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-1-(3-fluoro-4-methylphenyl)butan-2-one
CID 83226776
1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one
CID 83225605
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
1-(3,5-dimethylphenyl)-1-ethoxypropan-2-one
CID 83224960
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
1-(3-chlorophenyl)-1-ethoxypropan-2-one
CID 83225095
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
3-bromo-4-(3-fluoro-4-methylphenyl)pentan-2-one
CID 64721601
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one?
The IUPAC name of 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one (CID 83226180) is 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one?
The canonical SMILES for 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one is CCOC(C(C)=O)c1ccc(C)c(F)c1.
What is the InChIKey of 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one?
The InChIKey is PEUZYCIBZQDCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-4-15-12(9(3)14)10-6-5-8(2)11(13)7-10/h5-7,12H,4H2,1-3H3.
What are the key properties of 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one?
1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one is sourced from PubChem (CID 83226180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).