3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid

C19H22O6 — CID 112721448

IUPAC3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(OC)c(CC(C(=O)O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22O6/c1-22-14-6-8-16(23-2)13(9-14)10-15(19(20)21)12-5-7-17(24-3)18(11-12)25-4/h5-9,11,15H,10H2,1-4H3,(H,20,21)
InChIKeyUYYXCGZEZVWTOO-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.13
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid

3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid (PubChem CID 112721448) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
PubChem CID112721448
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(OC)c(CC(C(=O)O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22O6/c1-22-14-6-8-16(23-2)13(9-14)10-15(19(20)21)12-5-7-17(24-3)18(11-12)25-4/h5-9,11,15H,10H2,1-4H3,(H,20,21)
InChIKeyUYYXCGZEZVWTOO-UHFFFAOYSA-N
XLogP3.13
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83956145
3-(2,5-dimethoxyphenyl)-2-(3-ethoxyphenyl)propanoic acid
CID 83956153
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
CID 79430808
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
(2S)-3-(2,5-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100546355
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870
2-(3,4-dimethoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 20985305
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid (CID 112721448) is 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid is COc1ccc(OC)c(CC(C(=O)O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid?
The InChIKey is UYYXCGZEZVWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-22-14-6-8-16(23-2)13(9-14)10-15(19(20)21)12-5-7-17(24-3)18(11-12)25-4/h5-9,11,15H,10H2,1-4H3,(H,20,21).
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid?
3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid has a molecular weight of 346.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 112721448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).