3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid

C20H24O4 — CID 82141810

IUPAC3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H24O4/c1-13(2)14-5-7-15(8-6-14)18(20(21)22)11-16-9-10-17(23-3)12-19(16)24-4/h5-10,12-13,18H,11H2,1-4H3,(H,21,22)
InChIKeyQSACNORKUNNZRR-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.24
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid

3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 82141810) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
PubChem CID82141810
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
SMILESCOc1ccc(CC(C(=O)O)c2ccc(C(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H24O4/c1-13(2)14-5-7-15(8-6-14)18(20(21)22)11-16-9-10-17(23-3)12-19(16)24-4/h5-10,12-13,18H,11H2,1-4H3,(H,21,22)
InChIKeyQSACNORKUNNZRR-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 112721448
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
CID 22683722
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100545736
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
3-(2-hexoxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22685773
2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 22682509
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
CID 79430808

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid (CID 82141810) is 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid is COc1ccc(CC(C(=O)O)c2ccc(C(C)C)cc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is QSACNORKUNNZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-13(2)14-5-7-15(8-6-14)18(20(21)22)11-16-9-10-17(23-3)12-19(16)24-4/h5-10,12-13,18H,11H2,1-4H3,(H,21,22).
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid?
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 82141810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).