2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid

C25H34O2 — CID 20660353

IUPAC2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid
SMILESCc1cc(C(C)C(C)C(=O)O)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C25H34O2/c1-12-11-22(17(6)21(10)25(26)27)24(18(7)13(12)2)23-19(8)15(4)14(3)16(5)20(23)9/h11,17,21H,1-10H3,(H,26,27)
InChIKeyZYKOJQMJZKRVBO-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.65
Rot. Bonds4

About 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid

2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid (PubChem CID 20660353) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid
PubChem CID20660353
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid
SMILESCc1cc(C(C)C(C)C(=O)O)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C25H34O2/c1-12-11-22(17(6)21(10)25(26)27)24(18(7)13(12)2)23-19(8)15(4)14(3)16(5)20(23)9/h11,17,21H,1-10H3,(H,26,27)
InChIKeyZYKOJQMJZKRVBO-UHFFFAOYSA-N
XLogP6.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic 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

diethyl 2-methyl-2-[1-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]ethyl]propanedioate
CID 54419166
2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
CID 81008054
3-(3,4-dimethylphenyl)-2-methylbutanoic acid
CID 79729840
butane;ethane;2-methylbutane;1,2,3,4,5-pentamethylbenzene;propanoic acid
CID 143834150
2-methyl-3-(methylamino)-3-(2,3,5,6-tetramethylphenyl)propanoic acid
CID 116953327
3-(4-hydroxy-3-methylphenyl)-2-methylbutanoic acid
CID 20647414
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid
CID 105396237
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
2-methyl-3-oxo-3-(2,3,5,6-tetramethylphenyl)propanoic acid
CID 116918196
2-methyl-3-phenylbutanoic acid
CID 29759
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid?
The IUPAC name of 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid (CID 20660353) is 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid.
What is the SMILES notation for 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid?
The canonical SMILES for 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid is Cc1cc(C(C)C(C)C(=O)O)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid?
The InChIKey is ZYKOJQMJZKRVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-12-11-22(17(6)21(10)25(26)27)24(18(7)13(12)2)23-19(8)15(4)14(3)16(5)20(23)9/h11,17,21H,1-10H3,(H,26,27).
What are the key properties of 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid?
2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid has a molecular weight of 366.55 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3,4,5-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)phenyl]butanoic acid is sourced from PubChem (CID 20660353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).