2-benzyl-3-methyl-3,5-diphenylpentanoic acid

C25H26O2 — CID 141045464

IUPAC2-benzyl-3-methyl-3,5-diphenylpentanoic acid
SMILESCC(CCc1ccccc1)(c1ccccc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C25H26O2/c1-25(22-15-9-4-10-16-22,18-17-20-11-5-2-6-12-20)23(24(26)27)19-21-13-7-3-8-14-21/h2-16,23H,17-19H2,1H3,(H,26,27)
InChIKeyPLSDLTUDYLFQAM-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.52
Rot. Bonds8

About 2-benzyl-3-methyl-3,5-diphenylpentanoic acid

2-benzyl-3-methyl-3,5-diphenylpentanoic acid (PubChem CID 141045464) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-benzyl-3-methyl-3,5-diphenylpentanoic acid.

Molecular Properties

Compound Name2-benzyl-3-methyl-3,5-diphenylpentanoic acid
PubChem CID141045464
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name2-benzyl-3-methyl-3,5-diphenylpentanoic acid
SMILESCC(CCc1ccccc1)(c1ccccc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C25H26O2/c1-25(22-15-9-4-10-16-22,18-17-20-11-5-2-6-12-20)23(24(26)27)19-21-13-7-3-8-14-21/h2-16,23H,17-19H2,1H3,(H,26,27)
InChIKeyPLSDLTUDYLFQAM-UHFFFAOYSA-N
XLogP5.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-3-methyl-3,5-diphenylpentanoic 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-benzyl-3-butan-2-yl-4-methyl-3-(2-phenylethyl)hexanoic acid
CID 141045507
2-benzyl-3-ethyl-3-phenylpentanoic acid
CID 175010628
(2S)-2-benzyl-3,3,3-trifluoropropanoic acid
CID 101484262
4-phenyl-2-tritylbutanoic acid
CID 174300549
2-benzyl-3,3,3-trichloropropanoic acid;2-phenylethyl acetate
CID 175878398
2-[(3,5-dimethylphenyl)methyl]-3,3-diphenylbutanoic acid
CID 23221685
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879
2,2-dihydroxy-4-phenylbutanoic acid
CID 54448569
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
diethyl 3-benzyl-2-hydroxy-2-(2-phenylethyl)butanedioate
CID 66648766
2-tert-butyl-4-hydroxy-4-phenylpentanoic acid
CID 83139569
(2R)-2-tert-butyl-3-(2-phenylethyl)butanedioic acid
CID 70166534

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-3,5-diphenylpentanoic acid?
The IUPAC name of 2-benzyl-3-methyl-3,5-diphenylpentanoic acid (CID 141045464) is 2-benzyl-3-methyl-3,5-diphenylpentanoic acid.
What is the SMILES notation for 2-benzyl-3-methyl-3,5-diphenylpentanoic acid?
The canonical SMILES for 2-benzyl-3-methyl-3,5-diphenylpentanoic acid is CC(CCc1ccccc1)(c1ccccc1)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-methyl-3,5-diphenylpentanoic acid?
The InChIKey is PLSDLTUDYLFQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-25(22-15-9-4-10-16-22,18-17-20-11-5-2-6-12-20)23(24(26)27)19-21-13-7-3-8-14-21/h2-16,23H,17-19H2,1H3,(H,26,27).
What are the key properties of 2-benzyl-3-methyl-3,5-diphenylpentanoic acid?
2-benzyl-3-methyl-3,5-diphenylpentanoic acid has a molecular weight of 358.48 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-3,5-diphenylpentanoic acid is sourced from PubChem (CID 141045464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).