2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid

C16H24O4 — CID 63074115

IUPAC2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
SMILESCCOC(COc1ccc(C(C)(C)CC)cc1)C(=O)O
InChIInChI=1S/C16H24O4/c1-5-16(3,4)12-7-9-13(10-8-12)20-11-14(15(17)18)19-6-2/h7-10,14H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyREUVVQXGTPWORS-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.24
Rot. Bonds8

About 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid

2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid (PubChem CID 63074115) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
PubChem CID63074115
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid
SMILESCCOC(COc1ccc(C(C)(C)CC)cc1)C(=O)O
InChIInChI=1S/C16H24O4/c1-5-16(3,4)12-7-9-13(10-8-12)20-11-14(15(17)18)19-6-2/h7-10,14H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyREUVVQXGTPWORS-UHFFFAOYSA-N
XLogP3.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-phenoxypropanoic acid
CID 63074298
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63073122
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
2-ethoxy-3-[4-fluoro-3-(trifluoromethyl)phenoxy]propanoic acid
CID 102747684
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
2-ethoxy-3-[4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]propanoic acid
CID 141125240
2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoic acid
CID 43537499

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid (CID 63074115) is 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid is CCOC(COc1ccc(C(C)(C)CC)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
The InChIKey is REUVVQXGTPWORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-16(3,4)12-7-9-13(10-8-12)20-11-14(15(17)18)19-6-2/h7-10,14H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid?
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid has a molecular weight of 280.36 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 63074115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).