2-ethoxy-3-methyl-2-phenylbutanoic acid

C13H18O3 — CID 15450552

IUPAC2-ethoxy-3-methyl-2-phenylbutanoic acid
SMILESCCOC(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C13H18O3/c1-4-16-13(10(2)3,12(14)15)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,14,15)
InChIKeyNZKWIGNIQRHWRH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.66
Rot. Bonds5

About 2-ethoxy-3-methyl-2-phenylbutanoic acid

2-ethoxy-3-methyl-2-phenylbutanoic acid (PubChem CID 15450552) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-methyl-2-phenylbutanoic acid
PubChem CID15450552
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-ethoxy-3-methyl-2-phenylbutanoic acid
SMILESCCOC(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C13H18O3/c1-4-16-13(10(2)3,12(14)15)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,14,15)
InChIKeyNZKWIGNIQRHWRH-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-but-2-enoxy-3-methyl-2-phenylbutanoic acid
CID 114996174
2-chloro-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 140979566
2-(diethylamino)-3-methyl-2-phenylbutanoic acid
CID 61340321
2-ethoxy-2-methyl-3,3-diphenylpropanoic acid
CID 115590588
4-amino-3-ethoxy-3-phenylbutan-2-ol
CID 13441348
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319
2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
CID 87162719
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701331
(1-ethoxy-1-phenylpropyl) phenyl carbonate
CID 118088650
benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate
CID 57122421

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-2-phenylbutanoic acid?
The IUPAC name of 2-ethoxy-3-methyl-2-phenylbutanoic acid (CID 15450552) is 2-ethoxy-3-methyl-2-phenylbutanoic acid.
What is the SMILES notation for 2-ethoxy-3-methyl-2-phenylbutanoic acid?
The canonical SMILES for 2-ethoxy-3-methyl-2-phenylbutanoic acid is CCOC(C(=O)O)(c1ccccc1)C(C)C.
What is the InChIKey of 2-ethoxy-3-methyl-2-phenylbutanoic acid?
The InChIKey is NZKWIGNIQRHWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-16-13(10(2)3,12(14)15)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-ethoxy-3-methyl-2-phenylbutanoic acid?
2-ethoxy-3-methyl-2-phenylbutanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 15450552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).