2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid

C14H20O6 — CID 107744915

IUPAC2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid
SMILESCCOC(CCOc1ccc(CO)cc1OC)C(=O)O
InChIInChI=1S/C14H20O6/c1-3-19-12(14(16)17)6-7-20-11-5-4-10(9-15)8-13(11)18-2/h4-5,8,12,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyJYOLONGLRRDHRJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.45
Rot. Bonds9

About 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid

2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid (PubChem CID 107744915) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid
PubChem CID107744915
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid
SMILESCCOC(CCOc1ccc(CO)cc1OC)C(=O)O
InChIInChI=1S/C14H20O6/c1-3-19-12(14(16)17)6-7-20-11-5-4-10(9-15)8-13(11)18-2/h4-5,8,12,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyJYOLONGLRRDHRJ-UHFFFAOYSA-N
XLogP1.45
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
CID 107744699
4-(4-bromo-2-fluorophenoxy)-2-ethoxybutanoic acid
CID 63074142
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
2-ethoxy-4-(4-propylphenoxy)butanoic acid
CID 63075186
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]prop-2-enoic acid
CID 107742387
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291
[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol
CID 115659185
tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
CID 107742324
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331555
(2S)-2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10273971

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid?
The IUPAC name of 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid (CID 107744915) is 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid.
What is the SMILES notation for 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid?
The canonical SMILES for 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid is CCOC(CCOc1ccc(CO)cc1OC)C(=O)O.
What is the InChIKey of 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid?
The InChIKey is JYOLONGLRRDHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-3-19-12(14(16)17)6-7-20-11-5-4-10(9-15)8-13(11)18-2/h4-5,8,12,15H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid?
2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid is sourced from PubChem (CID 107744915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).