3-(4-ethyl-2-methoxyphenyl)propanoic acid

C12H16O3 — CID 91883544

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

About 3-(4-ethyl-2-methoxyphenyl)propanoic acid

3-(4-ethyl-2-methoxyphenyl)propanoic acid (PubChem CID 91883544) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenyl)propanoic acid
PubChem CID91883544
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(4-ethyl-2-methoxyphenyl)propanoic acid
SMILESCCc1ccc(CCC(=O)O)c(OC)c1
InChIInChI=1S/C12H16O3/c1-3-9-4-5-10(6-7-12(13)14)11(8-9)15-2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyHCRNUVAAVDZPKC-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-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117349160
3-(4-ethoxycarbonyl-2-methoxyphenyl)propanoic acid
CID 134641089
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
4-ethyl-2-methoxybenzoic acid
CID 18687349
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]propanoic acid
CID 117379442
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-ethyl-2-methoxyphenyl)propanoic acid (CID 91883544) is 3-(4-ethyl-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenyl)propanoic acid is CCc1ccc(CCC(=O)O)c(OC)c1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenyl)propanoic acid?
The InChIKey is HCRNUVAAVDZPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-9-4-5-10(6-7-12(13)14)11(8-9)15-2/h4-5,8H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethyl-2-methoxyphenyl)propanoic acid?
3-(4-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-(4-ethyl-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 91883544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).