3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid

C18H20O5 — CID 133241119

IUPAC3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2ccccc2C)C(=O)O)c(OC)c1
InChIInChI=1S/C18H20O5/c1-12-6-4-5-7-15(12)23-17(18(19)20)10-13-8-9-14(21-2)11-16(13)22-3/h4-9,11,17H,10H2,1-3H3,(H,19,20)
InChIKeyYFUYLQHIXPPXCE-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.09
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid

3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid (PubChem CID 133241119) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
PubChem CID133241119
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2ccccc2C)C(=O)O)c(OC)c1
InChIInChI=1S/C18H20O5/c1-12-6-4-5-7-15(12)23-17(18(19)20)10-13-8-9-14(21-2)11-16(13)22-3/h4-9,11,17H,10H2,1-3H3,(H,19,20)
InChIKeyYFUYLQHIXPPXCE-UHFFFAOYSA-N
XLogP3.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
(2S)-3-(2,4-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100545560
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
3-(2,4-dimethoxyphenyl)-2-propoxypropanoic acid
CID 133241144
(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100545736
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
2-butoxy-3-(2,4-dimethoxyphenyl)propanoic acid
CID 133241148
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid (CID 133241119) is 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid is COc1ccc(CC(Oc2ccccc2C)C(=O)O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid?
The InChIKey is YFUYLQHIXPPXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-12-6-4-5-7-15(12)23-17(18(19)20)10-13-8-9-14(21-2)11-16(13)22-3/h4-9,11,17H,10H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid?
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid has a molecular weight of 316.35 g/mol, XLogP of 3.09, 7 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-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 133241119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).