3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid

C18H20O2 — CID 82139246

IUPAC3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(Cc2ccccc2)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O2/c1-12-9-13(2)17(14(3)10-12)16(18(19)20)11-15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3,(H,19,20)
InChIKeyXOJBHQKKIVPLHJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.02
Rot. Bonds4

About 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid

3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 82139246) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID82139246
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(Cc2ccccc2)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O2/c1-12-9-13(2)17(14(3)10-12)16(18(19)20)11-15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3,(H,19,20)
InChIKeyXOJBHQKKIVPLHJ-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-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

3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992145
(2S)-2,3-diphenylpropanoic acid
CID 737125
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
[2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105283121
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanoic acid
CID 104571505
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid (CID 82139246) is 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid is Cc1cc(C)c(C(Cc2ccccc2)C(=O)O)c(C)c1.
What is the InChIKey of 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is XOJBHQKKIVPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-9-13(2)17(14(3)10-12)16(18(19)20)11-15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3,(H,19,20).
What are the key properties of 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid?
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 82139246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).