(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid

C12H16O4 — CID 107663541

IUPAC(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
SMILESCCc1ccc(O[C@@H](C)C(=O)O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-4-9-5-6-10(11(7-9)15-3)16-8(2)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyPSJNOKCNHZUCLA-QMMMGPOBSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds5

About (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid

(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid (PubChem CID 107663541) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
PubChem CID107663541
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
SMILESCCc1ccc(O[C@@H](C)C(=O)O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-4-9-5-6-10(11(7-9)15-3)16-8(2)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyPSJNOKCNHZUCLA-QMMMGPOBSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol
CID 107667812
2-(4-carbamothioyl-2-methoxyphenoxy)propanoic acid
CID 55133621
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
4-ethyl-2-methoxybenzoic acid
CID 18687349
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556
(2S)-2-[2-methoxy-4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenoxy]propanoic acid
CID 99945626

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid?
The IUPAC name of (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid (CID 107663541) is (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid is CCc1ccc(O[C@@H](C)C(=O)O)c(OC)c1.
What is the InChIKey of (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid?
The InChIKey is PSJNOKCNHZUCLA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-9-5-6-10(11(7-9)15-3)16-8(2)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid?
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 107663541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).