3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid

C14H20O5 — CID 133241144

IUPAC3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C14H20O5/c1-4-7-19-13(14(15)16)8-10-5-6-11(17-2)9-12(10)18-3/h5-6,9,13H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyABETWDSHLNNBEK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.13
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid

3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid (PubChem CID 133241144) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
PubChem CID133241144
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
SMILESCCCOC(Cc1ccc(OC)cc1OC)C(=O)O
InChIInChI=1S/C14H20O5/c1-4-7-19-13(14(15)16)8-10-5-6-11(17-2)9-12(10)18-3/h5-6,9,13H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyABETWDSHLNNBEK-UHFFFAOYSA-N
XLogP2.13
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butoxy-3-(2,4-dimethoxyphenyl)propanoic acid
CID 133241148
(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100545736
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
(2S)-3-(2,4-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100545560
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223416
(2S)-3-(2,5-dimethoxyphenyl)-2-phenylmethoxypropanoic acid
CID 100546415
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-propoxypropanoic acid
CID 100550485
(2S)-2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid
CID 1268135

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid (CID 133241144) is 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid is CCCOC(Cc1ccc(OC)cc1OC)C(=O)O.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid?
The InChIKey is ABETWDSHLNNBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-7-19-13(14(15)16)8-10-5-6-11(17-2)9-12(10)18-3/h5-6,9,13H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid?
3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid is sourced from PubChem (CID 133241144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).