(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid

C13H18O4 — CID 100546885

IUPAC(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCCO[C@H](Cc1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C13H18O4/c1-4-17-12(13(14)15)8-10-7-9(2)5-6-11(10)16-3/h5-7,12H,4,8H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeySYIJFVBOPMAZAP-GFCCVEGCSA-N
MW238.28 g/mol
LogP2.04
Rot. Bonds6

About (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid

(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid (PubChem CID 100546885) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
PubChem CID100546885
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
SMILESCCO[C@H](Cc1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C13H18O4/c1-4-17-12(13(14)15)8-10-7-9(2)5-6-11(10)16-3/h5-7,12H,4,8H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeySYIJFVBOPMAZAP-GFCCVEGCSA-N
XLogP2.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(2-methoxy-5-methylphenyl)-2-phenylmethoxypropanoic acid
CID 100546975
(2S)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546925
(2R)-3-(2-methoxy-5-methylphenyl)-2-propan-2-yloxypropanoic acid
CID 100546917
(2S)-2-(3,5-dimethylphenoxy)-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546610
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 79495074
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
4-amino-2-[(2-methoxy-5-methylphenyl)methyl]butanoic acid
CID 104681023
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]propanoic acid
CID 43092549
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
3-(3,5-dimethylphenyl)-2-ethoxypropanoic acid
CID 133237900

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid (CID 100546885) is (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid is CCO[C@H](Cc1cc(C)ccc1OC)C(=O)O.
What is the InChIKey of (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is SYIJFVBOPMAZAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-12(13(14)15)8-10-7-9(2)5-6-11(10)16-3/h5-7,12H,4,8H2,1-3H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid?
(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 100546885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).