2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid

C20H24O3 — CID 83952174

IUPAC2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
SMILESCc1ccc(C)c(C(Cc2cccc(OC(C)C)c2)C(=O)O)c1
InChIInChI=1S/C20H24O3/c1-13(2)23-17-7-5-6-16(11-17)12-19(20(21)22)18-10-14(3)8-9-15(18)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)
InChIKeyIUGIWDDJYKCFSZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.50
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid

2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid (PubChem CID 83952174) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
PubChem CID83952174
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
SMILESCc1ccc(C)c(C(Cc2cccc(OC(C)C)c2)C(=O)O)c1
InChIInChI=1S/C20H24O3/c1-13(2)23-17-7-5-6-16(11-17)12-19(20(21)22)18-10-14(3)8-9-15(18)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)
InChIKeyIUGIWDDJYKCFSZ-UHFFFAOYSA-N
XLogP4.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)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

2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(4-methoxy-3-methylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952179
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
2-(2,5-dimethylphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953444
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
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
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid (CID 83952174) is 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid is Cc1ccc(C)c(C(Cc2cccc(OC(C)C)c2)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is IUGIWDDJYKCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-13(2)23-17-7-5-6-16(11-17)12-19(20(21)22)18-10-14(3)8-9-15(18)4/h5-11,13,19H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid?
2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 83952174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).