2-ethoxy-3-(3-methylphenyl)propanoic acid

C12H16O3 — CID 84722685

IUPAC2-ethoxy-3-(3-methylphenyl)propanoic acid
SMILESCCOC(Cc1cccc(C)c1)C(=O)O
InChIInChI=1S/C12H16O3/c1-3-15-11(12(13)14)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyAANNRELKRZPVDB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.03
Rot. Bonds5

About 2-ethoxy-3-(3-methylphenyl)propanoic acid

2-ethoxy-3-(3-methylphenyl)propanoic acid (PubChem CID 84722685) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethoxy-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(3-methylphenyl)propanoic acid
PubChem CID84722685
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-ethoxy-3-(3-methylphenyl)propanoic acid
SMILESCCOC(Cc1cccc(C)c1)C(=O)O
InChIInChI=1S/C12H16O3/c1-3-15-11(12(13)14)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,13,14)
InChIKeyAANNRELKRZPVDB-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-2-ethoxypropanoic acid
CID 133237900
2-ethoxy-3-phenylpropanoic acid
CID 54403311
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
(2R)-2-ethoxy-3-(3-nitrophenyl)propanoic acid
CID 99870177
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
(2R)-3-(2,6-dimethylphenyl)-2-ethoxypropanoic acid
CID 100528176
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(3-methylphenyl)propanoic acid (CID 84722685) is 2-ethoxy-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(3-methylphenyl)propanoic acid is CCOC(Cc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(3-methylphenyl)propanoic acid?
The InChIKey is AANNRELKRZPVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-15-11(12(13)14)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-3-(3-methylphenyl)propanoic acid?
2-ethoxy-3-(3-methylphenyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 84722685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).