(2R)-2-(2,4,6-trimethylphenyl)propanoic acid

C12H16O2 — CID 54026726

IUPAC(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c([C@@H](C)C(=O)O)c(C)c1
InChIInChI=1S/C12H16O2/c1-7-5-8(2)11(9(3)6-7)10(4)12(13)14/h5-6,10H,1-4H3,(H,13,14)/t10-/m1/s1
InChIKeyLCRWFKPBJGFULZ-SNVBAGLBSA-N
MW192.26 g/mol
LogP2.80
Rot. Bonds2

About (2R)-2-(2,4,6-trimethylphenyl)propanoic acid

(2R)-2-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 54026726) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R)-2-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID54026726
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c([C@@H](C)C(=O)O)c(C)c1
InChIInChI=1S/C12H16O2/c1-7-5-8(2)11(9(3)6-7)10(4)12(13)14/h5-6,10H,1-4H3,(H,13,14)/t10-/m1/s1
InChIKeyLCRWFKPBJGFULZ-SNVBAGLBSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(2,4,6-trimethylphenyl)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-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116938024
2-(2-chloro-6-ethyl-4-methylphenyl)propanoic acid
CID 69441994
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
CID 63704772
2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117321884
2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
CID 67337571
2-(2-ethyl-4-formyl-6-methylphenyl)propanoic acid
CID 141152132
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)propanoic acid
CID 84792444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(2,4,6-trimethylphenyl)propanoic acid (CID 54026726) is (2R)-2-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(2,4,6-trimethylphenyl)propanoic acid is Cc1cc(C)c([C@@H](C)C(=O)O)c(C)c1.
What is the InChIKey of (2R)-2-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is LCRWFKPBJGFULZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O2/c1-7-5-8(2)11(9(3)6-7)10(4)12(13)14/h5-6,10H,1-4H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,4,6-trimethylphenyl)propanoic acid?
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 192.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 54026726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).