2-(2,5-dimethylphenyl)-3-phenylpropanoic acid

C17H18O2 — CID 82139245

IUPAC2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
SMILESCc1ccc(C)c(C(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C17H18O2/c1-12-8-9-13(2)15(10-12)16(17(18)19)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyFOAMPEDEMSZEQS-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.71
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid

2-(2,5-dimethylphenyl)-3-phenylpropanoic acid (PubChem CID 82139245) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
PubChem CID82139245
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
SMILESCc1ccc(C)c(C(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C17H18O2/c1-12-8-9-13(2)15(10-12)16(17(18)19)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyFOAMPEDEMSZEQS-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952174
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
2-(2,5-dimethylphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953444
2-(2,5-dimethylphenyl)-3-thiophen-2-ylpropanoic acid
CID 83951542
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
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
4-[2-carboxy-2-(2,4-dimethylphenyl)ethyl]benzoic acid
CID 83955770
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 83955681
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82140292
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid (CID 82139245) is 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid is Cc1ccc(C)c(C(Cc2ccccc2)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid?
The InChIKey is FOAMPEDEMSZEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-8-9-13(2)15(10-12)16(17(18)19)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid?
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 82139245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).