2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

C20H24O4 — CID 83951966

IUPAC2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H24O4/c1-5-24-18-9-8-15(12-19(18)23-4)11-17(20(21)22)16-10-13(2)6-7-14(16)3/h6-10,12,17H,5,11H2,1-4H3,(H,21,22)
InChIKeyAUIYTWCCCXUNAM-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.12
Rot. Bonds7

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

2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid (PubChem CID 83951966) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
PubChem CID83951966
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(C(=O)O)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H24O4/c1-5-24-18-9-8-15(12-19(18)23-4)11-17(20(21)22)16-10-13(2)6-7-14(16)3/h6-10,12,17H,5,11H2,1-4H3,(H,21,22)
InChIKeyAUIYTWCCCXUNAM-UHFFFAOYSA-N
XLogP4.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)propanoic acid
CID 83954162
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
CID 165353920
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 83952976
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
2-(2,5-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 83954964

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid (CID 83951966) is 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is CCOc1ccc(CC(C(=O)O)c2cc(C)ccc2C)cc1OC.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The InChIKey is AUIYTWCCCXUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-5-24-18-9-8-15(12-19(18)23-4)11-17(20(21)22)16-10-13(2)6-7-14(16)3/h6-10,12,17H,5,11H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83951966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).