2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid

C12H15FO3 — CID 79303258

IUPAC2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccccc1F
InChIInChI=1S/C12H15FO3/c1-3-12(16,11(14)15)8(2)9-6-4-5-7-10(9)13/h4-8,16H,3H2,1-2H3,(H,14,15)
InChIKeyACWGHYJIOYMQNK-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.15
Rot. Bonds4

About 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid

2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid (PubChem CID 79303258) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
PubChem CID79303258
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccccc1F
InChIInChI=1S/C12H15FO3/c1-3-12(16,11(14)15)8(2)9-6-4-5-7-10(9)13/h4-8,16H,3H2,1-2H3,(H,14,15)
InChIKeyACWGHYJIOYMQNK-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
2-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114998260
3-[1-(2-fluorophenyl)ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644214
2-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 113389405
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299005
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426
3-(2-fluorophenyl)butan-2-one
CID 66436572
2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
CID 105478777
3-acetamido-3-(2-fluorophenyl)-2,2-dimethylpropanoic acid
CID 59455612
2-[dimethylamino-(2-fluorophenyl)methyl]butanoic acid
CID 116913127

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid?
The IUPAC name of 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid (CID 79303258) is 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid.
What is the SMILES notation for 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid?
The canonical SMILES for 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid is CCC(O)(C(=O)O)C(C)c1ccccc1F.
What is the InChIKey of 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid?
The InChIKey is ACWGHYJIOYMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-3-12(16,11(14)15)8(2)9-6-4-5-7-10(9)13/h4-8,16H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid?
2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid is sourced from PubChem (CID 79303258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).