3-(5-ethyl-2-methoxyphenyl)propanoic acid

C12H16O3 — CID 82126594

IUPAC3-(5-ethyl-2-methoxyphenyl)propanoic acid
SMILESCCc1ccc(OC)c(CCC(=O)O)c1
InChIInChI=1S/C12H16O3/c1-3-9-4-6-11(15-2)10(8-9)5-7-12(13)14/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyGZOOQQJVEIIYMO-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.27
Rot. Bonds5

About 3-(5-ethyl-2-methoxyphenyl)propanoic acid

3-(5-ethyl-2-methoxyphenyl)propanoic acid (PubChem CID 82126594) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(5-ethyl-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-2-methoxyphenyl)propanoic acid
PubChem CID82126594
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(5-ethyl-2-methoxyphenyl)propanoic acid
SMILESCCc1ccc(OC)c(CCC(=O)O)c1
InChIInChI=1S/C12H16O3/c1-3-9-4-6-11(15-2)10(8-9)5-7-12(13)14/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyGZOOQQJVEIIYMO-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]propanoic acid
CID 117379442
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 70019238
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117349160
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117379450
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-[(5-ethyl-2-methoxyphenyl)methyl]prop-2-enoic acid
CID 116866222
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(5-ethyl-2-methoxyphenyl)propanoic acid (CID 82126594) is 3-(5-ethyl-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(5-ethyl-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(5-ethyl-2-methoxyphenyl)propanoic acid is CCc1ccc(OC)c(CCC(=O)O)c1.
What is the InChIKey of 3-(5-ethyl-2-methoxyphenyl)propanoic acid?
The InChIKey is GZOOQQJVEIIYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-9-4-6-11(15-2)10(8-9)5-7-12(13)14/h4,6,8H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(5-ethyl-2-methoxyphenyl)propanoic acid?
3-(5-ethyl-2-methoxyphenyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82126594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).