2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid

C12H16O4 — CID 84789679

IUPAC2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid
SMILESCCc1cc(C(C)C(=O)O)c(O)cc1OC
InChIInChI=1S/C12H16O4/c1-4-8-5-9(7(2)12(14)15)10(13)6-11(8)16-3/h5-7,13H,4H2,1-3H3,(H,14,15)
InChIKeyFWHMGPVFJQNKHV-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.15
Rot. Bonds4

About 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid

2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid (PubChem CID 84789679) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid
PubChem CID84789679
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid
SMILESCCc1cc(C(C)C(=O)O)c(O)cc1OC
InChIInChI=1S/C12H16O4/c1-4-8-5-9(7(2)12(14)15)10(13)6-11(8)16-3/h5-7,13H,4H2,1-3H3,(H,14,15)
InChIKeyFWHMGPVFJQNKHV-UHFFFAOYSA-N
XLogP2.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
2-(2-hydroxy-4-methoxy-5-methoxycarbonylphenyl)propanoic acid
CID 117388428
2-(5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117322308
2,5-diethyl-4-methoxyphenol
CID 162375149
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid (CID 84789679) is 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid is CCc1cc(C(C)C(=O)O)c(O)cc1OC.
What is the InChIKey of 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid?
The InChIKey is FWHMGPVFJQNKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-8-5-9(7(2)12(14)15)10(13)6-11(8)16-3/h5-7,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid?
2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 84789679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).