3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid

C12H15FO4 — CID 79367358

IUPAC3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
SMILESCCOc1ccccc1C(C)(O)C(F)C(=O)O
InChIInChI=1S/C12H15FO4/c1-3-17-9-7-5-4-6-8(9)12(2,16)10(13)11(14)15/h4-7,10,16H,3H2,1-2H3,(H,14,15)
InChIKeyGVTBHACXHMKVKB-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.72
Rot. Bonds5

About 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid

3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid (PubChem CID 79367358) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
PubChem CID79367358
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
SMILESCCOc1ccccc1C(C)(O)C(F)C(=O)O
InChIInChI=1S/C12H15FO4/c1-3-17-9-7-5-4-6-8(9)12(2,16)10(13)11(14)15/h4-7,10,16H,3H2,1-2H3,(H,14,15)
InChIKeyGVTBHACXHMKVKB-UHFFFAOYSA-N
XLogP1.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83043570
2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 79366706
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61002876
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
CID 62397820

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid?
The IUPAC name of 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid (CID 79367358) is 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid is CCOc1ccccc1C(C)(O)C(F)C(=O)O.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid?
The InChIKey is GVTBHACXHMKVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-3-17-9-7-5-4-6-8(9)12(2,16)10(13)11(14)15/h4-7,10,16H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid?
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid has a molecular weight of 242.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid is sourced from PubChem (CID 79367358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).