2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid

C12H15FO3 — CID 62398213

IUPAC2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
SMILESCCC(C(=O)O)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-3-10(11(14)15)12(2,16)8-4-6-9(13)7-5-8/h4-7,10,16H,3H2,1-2H3,(H,14,15)
InChIKeyRTIKRMHFYBLDER-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.14
Rot. Bonds4

About 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid

2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid (PubChem CID 62398213) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
PubChem CID62398213
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
SMILESCCC(C(=O)O)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO3/c1-3-10(11(14)15)12(2,16)8-4-6-9(13)7-5-8/h4-7,10,16H,3H2,1-2H3,(H,14,15)
InChIKeyRTIKRMHFYBLDER-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
2-[2-(4-fluorophenyl)butan-2-yl]propanedioic acid
CID 139635434
2-ethyl-3-hydroxy-3-(3-hydroxyphenyl)butanoic acid
CID 62399034
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
2,2-diamino-3-ethyl-1,4-bis(4-fluorophenyl)butane-1,4-dione
CID 141384133
2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid
CID 115250146
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
methyl 3-(3,4-difluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394404
methyl 3-(4-bromophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394591
2-(4-fluorophenyl)propan-2-ol
CID 637733
[(2S)-1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] propanoate
CID 155110586
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid?
The IUPAC name of 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid (CID 62398213) is 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid?
The canonical SMILES for 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid is CCC(C(=O)O)C(C)(O)c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid?
The InChIKey is RTIKRMHFYBLDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-3-10(11(14)15)12(2,16)8-4-6-9(13)7-5-8/h4-7,10,16H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid?
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid is sourced from PubChem (CID 62398213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).