2-benzyl-8-methyl-2-phenylnonanoic acid

C23H30O2 — CID 154389519

IUPAC2-benzyl-8-methyl-2-phenylnonanoic acid
SMILESCC(C)CCCCCC(Cc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C23H30O2/c1-19(2)12-6-5-11-17-23(22(24)25,21-15-9-4-10-16-21)18-20-13-7-3-8-14-20/h3-4,7-10,13-16,19H,5-6,11-12,17-18H2,1-2H3,(H,24,25)
InChIKeyLJWPUSKKVGUQAF-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.86
Rot. Bonds10

About 2-benzyl-8-methyl-2-phenylnonanoic acid

2-benzyl-8-methyl-2-phenylnonanoic acid (PubChem CID 154389519) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-benzyl-8-methyl-2-phenylnonanoic acid.

Molecular Properties

Compound Name2-benzyl-8-methyl-2-phenylnonanoic acid
PubChem CID154389519
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name2-benzyl-8-methyl-2-phenylnonanoic acid
SMILESCC(C)CCCCCC(Cc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C23H30O2/c1-19(2)12-6-5-11-17-23(22(24)25,21-15-9-4-10-16-21)18-20-13-7-3-8-14-20/h3-4,7-10,13-16,19H,5-6,11-12,17-18H2,1-2H3,(H,24,25)
InChIKeyLJWPUSKKVGUQAF-UHFFFAOYSA-N
XLogP5.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
2-benzyl-5-(methylamino)-2-phenylhexanamide
CID 174298309
2-benzyl-2-decyl-4-methylhexadecanoic acid
CID 170305051
2-(aminomethyl)-6-methyl-2-(3-methylphenyl)heptanoic acid
CID 106490782
2-benzyl-2-(2-ethylhexyl)hexanedioic acid;2,2-bis(8-methylnonyl)hexanedioic acid
CID 67739535
2-ethyl-2-phenyldecanedioic acid
CID 159619008
hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium
CID 172710427
2,2-dibenzyltetradecanoic acid
CID 174897332
2-(2-oxoethyl)-2-phenyltetradecanoic acid
CID 175108825
2-benzyl-6-oxo-2-pyridin-3-ylhexanoic acid
CID 175912120
octan-3-yl 2-benzyl-3-hydroxy-2-phenylpropanoate
CID 142578407

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-methyl-2-phenylnonanoic acid?
The IUPAC name of 2-benzyl-8-methyl-2-phenylnonanoic acid (CID 154389519) is 2-benzyl-8-methyl-2-phenylnonanoic acid.
What is the SMILES notation for 2-benzyl-8-methyl-2-phenylnonanoic acid?
The canonical SMILES for 2-benzyl-8-methyl-2-phenylnonanoic acid is CC(C)CCCCCC(Cc1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzyl-8-methyl-2-phenylnonanoic acid?
The InChIKey is LJWPUSKKVGUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-19(2)12-6-5-11-17-23(22(24)25,21-15-9-4-10-16-21)18-20-13-7-3-8-14-20/h3-4,7-10,13-16,19H,5-6,11-12,17-18H2,1-2H3,(H,24,25).
What are the key properties of 2-benzyl-8-methyl-2-phenylnonanoic acid?
2-benzyl-8-methyl-2-phenylnonanoic acid has a molecular weight of 338.49 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-methyl-2-phenylnonanoic acid is sourced from PubChem (CID 154389519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).