2-(2-methyl-4-propan-2-ylphenyl)propanoic acid

C13H18O2 — CID 175234713

IUPAC2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
SMILESCc1cc(C(C)C)ccc1C(C)C(=O)O
InChIInChI=1S/C13H18O2/c1-8(2)11-5-6-12(9(3)7-11)10(4)13(14)15/h5-8,10H,1-4H3,(H,14,15)
InChIKeyDZTUYLPTKOYUTH-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid

2-(2-methyl-4-propan-2-ylphenyl)propanoic acid (PubChem CID 175234713) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
PubChem CID175234713
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
SMILESCc1cc(C(C)C)ccc1C(C)C(=O)O
InChIInChI=1S/C13H18O2/c1-8(2)11-5-6-12(9(3)7-11)10(4)13(14)15/h5-8,10H,1-4H3,(H,14,15)
InChIKeyDZTUYLPTKOYUTH-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314723
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
CID 117305155
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
CID 84791168
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-(2-methyl-5-propan-2-ylphenyl)-2-oxoacetic acid
CID 82470282

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid (CID 175234713) is 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid is Cc1cc(C(C)C)ccc1C(C)C(=O)O.
What is the InChIKey of 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid?
The InChIKey is DZTUYLPTKOYUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8(2)11-5-6-12(9(3)7-11)10(4)13(14)15/h5-8,10H,1-4H3,(H,14,15).
What are the key properties of 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid?
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid has a molecular weight of 206.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 175234713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).