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

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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).