8-oxo-9-phenylnonanoic acid

C15H20O3 — CID 58119944

IUPAC8-oxo-9-phenylnonanoic acid
SMILESO=C(O)CCCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C15H20O3/c16-14(12-13-8-4-3-5-9-13)10-6-1-2-7-11-15(17)18/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyMJFRDWAYODHLRV-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.22
Rot. Bonds9

About 8-oxo-9-phenylnonanoic acid

8-oxo-9-phenylnonanoic acid (PubChem CID 58119944) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 8-oxo-9-phenylnonanoic acid.

Molecular Properties

Compound Name8-oxo-9-phenylnonanoic acid
PubChem CID58119944
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name8-oxo-9-phenylnonanoic acid
SMILESO=C(O)CCCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C15H20O3/c16-14(12-13-8-4-3-5-9-13)10-6-1-2-7-11-15(17)18/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyMJFRDWAYODHLRV-UHFFFAOYSA-N
XLogP3.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.22
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

1-phenyldecane-2,9-dione
CID 146832793
1-phenylheptadecan-2-one
CID 12920609
6-amino-1-phenylhexan-2-one
CID 57063081
15-phenylpentadecanoic acid
CID 2737151
benzyl 10-oxo-11-phenylundecanoate
CID 170190928
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-[4-(2-oxoundecyl)phenyl]acetic acid
CID 157258088
ethane;2-(6-oxo-7-phenylheptyl)guanidine
CID 142891810
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
benzenethiol;hexanedioic acid
CID 70583090
1-phenylhexane-2,5-dione
CID 10035428

Frequently Asked Questions

What is the IUPAC name of 8-oxo-9-phenylnonanoic acid?
The IUPAC name of 8-oxo-9-phenylnonanoic acid (CID 58119944) is 8-oxo-9-phenylnonanoic acid.
What is the SMILES notation for 8-oxo-9-phenylnonanoic acid?
The canonical SMILES for 8-oxo-9-phenylnonanoic acid is O=C(O)CCCCCCC(=O)Cc1ccccc1.
What is the InChIKey of 8-oxo-9-phenylnonanoic acid?
The InChIKey is MJFRDWAYODHLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-14(12-13-8-4-3-5-9-13)10-6-1-2-7-11-15(17)18/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18).
What are the key properties of 8-oxo-9-phenylnonanoic acid?
8-oxo-9-phenylnonanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-9-phenylnonanoic acid is sourced from PubChem (CID 58119944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).