1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one

C12H16FNO3 — CID 116826759

IUPAC1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(O)CNC)cc1F
InChIInChI=1S/C12H16FNO3/c1-3-17-11-5-4-8(6-9(11)13)12(16)10(15)7-14-2/h4-6,10,14-15H,3,7H2,1-2H3
InChIKeyOUOIACTVJNJVPA-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.99
Rot. Bonds6

About 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one

1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one (PubChem CID 116826759) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
PubChem CID116826759
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCCOc1ccc(C(=O)C(O)CNC)cc1F
InChIInChI=1S/C12H16FNO3/c1-3-17-11-5-4-8(6-9(11)13)12(16)10(15)7-14-2/h4-6,10,14-15H,3,7H2,1-2H3
InChIKeyOUOIACTVJNJVPA-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719
1-(4-ethoxy-3-methylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826758
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127
4-ethoxy-3-fluoro-N',N'-dimethylbenzohydrazide
CID 116847967
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
(E)-3-(4-ethoxy-3-fluorophenyl)but-2-enoic acid
CID 82287324
3-(4-ethoxy-3-fluorophenyl)-3-oxopropanenitrile
CID 116919053
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
2-(4-ethoxy-3-fluorophenyl)-2-methoxy-N-methylethanamine
CID 112512177
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
(2S)-4-[(4-ethoxy-3-fluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840883
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethyl-3-(methylamino)propanoic acid
CID 116953224

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one (CID 116826759) is 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one is CCOc1ccc(C(=O)C(O)CNC)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The InChIKey is OUOIACTVJNJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-17-11-5-4-8(6-9(11)13)12(16)10(15)7-14-2/h4-6,10,14-15H,3,7H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one?
1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one has a molecular weight of 241.26 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one is sourced from PubChem (CID 116826759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).