3-(2-methoxyphenoxy)-2-methylpropanoic acid

C11H14O4 — CID 43537701

IUPAC3-(2-methoxyphenoxy)-2-methylpropanoic acid
SMILESCOc1ccccc1OCC(C)C(=O)O
InChIInChI=1S/C11H14O4/c1-8(11(12)13)7-15-10-6-4-3-5-9(10)14-2/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyBYWRTFKEWVIQNH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.79
Rot. Bonds5

About 3-(2-methoxyphenoxy)-2-methylpropanoic acid

3-(2-methoxyphenoxy)-2-methylpropanoic acid (PubChem CID 43537701) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-2-methylpropanoic acid
PubChem CID43537701
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-(2-methoxyphenoxy)-2-methylpropanoic acid
SMILESCOc1ccccc1OCC(C)C(=O)O
InChIInChI=1S/C11H14O4/c1-8(11(12)13)7-15-10-6-4-3-5-9(10)14-2/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyBYWRTFKEWVIQNH-UHFFFAOYSA-N
XLogP1.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2-methylpropanoic acid?
The IUPAC name of 3-(2-methoxyphenoxy)-2-methylpropanoic acid (CID 43537701) is 3-(2-methoxyphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-methoxyphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-methoxyphenoxy)-2-methylpropanoic acid is COc1ccccc1OCC(C)C(=O)O.
What is the InChIKey of 3-(2-methoxyphenoxy)-2-methylpropanoic acid?
The InChIKey is BYWRTFKEWVIQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(11(12)13)7-15-10-6-4-3-5-9(10)14-2/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-methoxyphenoxy)-2-methylpropanoic acid?
3-(2-methoxyphenoxy)-2-methylpropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 43537701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).