8-oxo-9,9-diphenylnonanoic acid

C21H24O3 — CID 58248727

IUPAC8-oxo-9,9-diphenylnonanoic acid
SMILESO=C(O)CCCCCCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O3/c22-19(15-9-1-2-10-16-20(23)24)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,21H,1-2,9-10,15-16H2,(H,23,24)
InChIKeyVSBLFYJTBNSETH-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.81
Rot. Bonds10

About 8-oxo-9,9-diphenylnonanoic acid

8-oxo-9,9-diphenylnonanoic acid (PubChem CID 58248727) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 8-oxo-9,9-diphenylnonanoic acid.

Molecular Properties

Compound Name8-oxo-9,9-diphenylnonanoic acid
PubChem CID58248727
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name8-oxo-9,9-diphenylnonanoic acid
SMILESO=C(O)CCCCCCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O3/c22-19(15-9-1-2-10-16-20(23)24)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,21H,1-2,9-10,15-16H2,(H,23,24)
InChIKeyVSBLFYJTBNSETH-UHFFFAOYSA-N
XLogP4.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1,1-diphenylpentan-2-one
CID 115601489
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
2-phenyloctadecanedioic acid
CID 23016344
cumene;octanoic acid
CID 174815768
5-phenylnonanedioic acid
CID 54103206
6-fluoro-6-phenylhexanoic acid
CID 70054294
10-[2-(3-carboxypropylsulfanyl)phenyl]sulfanyldecanoic acid
CID 18795791
17-[2-(3-carboxypropylsulfanyl)phenyl]sulfanylheptadecanoic acid
CID 18796014
N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide
CID 24751947
decanedioic acid;phthalic acid
CID 67564124
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
11-phenyloctadecanoic acid
CID 101320092

Frequently Asked Questions

What is the IUPAC name of 8-oxo-9,9-diphenylnonanoic acid?
The IUPAC name of 8-oxo-9,9-diphenylnonanoic acid (CID 58248727) is 8-oxo-9,9-diphenylnonanoic acid.
What is the SMILES notation for 8-oxo-9,9-diphenylnonanoic acid?
The canonical SMILES for 8-oxo-9,9-diphenylnonanoic acid is O=C(O)CCCCCCC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-oxo-9,9-diphenylnonanoic acid?
The InChIKey is VSBLFYJTBNSETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c22-19(15-9-1-2-10-16-20(23)24)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,21H,1-2,9-10,15-16H2,(H,23,24).
What are the key properties of 8-oxo-9,9-diphenylnonanoic acid?
8-oxo-9,9-diphenylnonanoic acid has a molecular weight of 324.42 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-9,9-diphenylnonanoic acid is sourced from PubChem (CID 58248727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).