3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid

C21H26O4 — CID 83952976

IUPAC3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2cc(C)ccc2C)c(OCC)c1
InChIInChI=1S/C21H26O4/c1-5-24-17-10-9-16(20(13-17)25-6-2)12-19(21(22)23)18-11-14(3)7-8-15(18)4/h7-11,13,19H,5-6,12H2,1-4H3,(H,22,23)
InChIKeyOHPVSNWGMQRVKM-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.51
Rot. Bonds8

About 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid

3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid (PubChem CID 83952976) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
PubChem CID83952976
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2cc(C)ccc2C)c(OCC)c1
InChIInChI=1S/C21H26O4/c1-5-24-17-10-9-16(20(13-17)25-6-2)12-19(21(22)23)18-11-14(3)7-8-15(18)4/h7-11,13,19H,5-6,12H2,1-4H3,(H,22,23)
InChIKeyOHPVSNWGMQRVKM-UHFFFAOYSA-N
XLogP4.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-diethoxyphenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952987
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
2-(4-ethoxy-2-methylphenyl)-3-(2-ethoxyphenyl)propanoic acid
CID 83955882
3-(2,4-diethoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952981
2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
CID 83954162
2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 83951966
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(2,5-dimethylphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953444
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid?
The IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid (CID 83952976) is 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid is CCOc1ccc(CC(C(=O)O)c2cc(C)ccc2C)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid?
The InChIKey is OHPVSNWGMQRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-5-24-17-10-9-16(20(13-17)25-6-2)12-19(21(22)23)18-11-14(3)7-8-15(18)4/h7-11,13,19H,5-6,12H2,1-4H3,(H,22,23).
What are the key properties of 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid?
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid has a molecular weight of 342.44 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 83952976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).