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

C19H22O5 — CID 82140602

IUPAC3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccc(OC)c(OC)c2)C(=O)O)cc1
InChIInChI=1S/C19H22O5/c1-4-24-15-8-6-14(7-9-15)16(19(20)21)11-13-5-10-17(22-2)18(12-13)23-3/h5-10,12,16H,4,11H2,1-3H3,(H,20,21)
InChIKeyXROIWMBTSXSRTP-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.51
Rot. Bonds8

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

3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid (PubChem CID 82140602) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
PubChem CID82140602
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(C(Cc2ccc(OC)c(OC)c2)C(=O)O)cc1
InChIInChI=1S/C19H22O5/c1-4-24-15-8-6-14(7-9-15)16(19(20)21)11-13-5-10-17(22-2)18(12-13)23-3/h5-10,12,16H,4,11H2,1-3H3,(H,20,21)
InChIKeyXROIWMBTSXSRTP-UHFFFAOYSA-N
XLogP3.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
3-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20988635
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
2-(4-aminophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 83953929
2-(4-fluorophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 82160495
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid (CID 82140602) is 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(C(Cc2ccc(OC)c(OC)c2)C(=O)O)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
The InChIKey is XROIWMBTSXSRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-24-15-8-6-14(7-9-15)16(19(20)21)11-13-5-10-17(22-2)18(12-13)23-3/h5-10,12,16H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid?
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 82140602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).