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

C14H20O4 — CID 55139482

IUPAC3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
SMILESCCOc1ccc(C(C)(O)C(CC)C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-4-12(13(15)16)14(3,17)10-6-8-11(9-7-10)18-5-2/h6-9,12,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyTXPAARMYFVHCDO-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds6

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

3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid (PubChem CID 55139482) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
PubChem CID55139482
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
SMILESCCOc1ccc(C(C)(O)C(CC)C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-4-12(13(15)16)14(3,17)10-6-8-11(9-7-10)18-5-2/h6-9,12,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyTXPAARMYFVHCDO-UHFFFAOYSA-N
XLogP2.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
CID 62398213
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
(2R)-2-(4-tert-butylphenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544242
1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
CID 43411658
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid (CID 55139482) is 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid is CCOc1ccc(C(C)(O)C(CC)C(=O)O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid?
The InChIKey is TXPAARMYFVHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-12(13(15)16)14(3,17)10-6-8-11(9-7-10)18-5-2/h6-9,12,17H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid?
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid is sourced from PubChem (CID 55139482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).