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

Name: 3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₀O₄ — CID 55139482

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
PubChem CID	55139482
Molecular Formula	C₁₄H₂₀O₄
Molecular Weight	252.31 g/mol
Exact Mass	252.14
IUPAC Name	3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
SMILES	CCOc1ccc(C(C)(O)C(CC)C(=O)O)cc1
InChI	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)
InChIKey	TXPAARMYFVHCDO-UHFFFAOYSA-N
XLogP	2.40
TPSA	66.76 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.31
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 55139482 — identifiers, structure, computed properties (public domain)

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