1-(3-acetylphenyl)nonan-1-one

C17H24O2 — CID 159969230

IUPAC1-(3-acetylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H24O2/c1-3-4-5-6-7-8-12-17(19)16-11-9-10-15(13-16)14(2)18/h9-11,13H,3-8,12H2,1-2H3
InChIKeyOXHYBEOBTKSZMY-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.82
Rot. Bonds9

About 1-(3-acetylphenyl)nonan-1-one

1-(3-acetylphenyl)nonan-1-one (PubChem CID 159969230) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-acetylphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(3-acetylphenyl)nonan-1-one
PubChem CID159969230
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3-acetylphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C17H24O2/c1-3-4-5-6-7-8-12-17(19)16-11-9-10-15(13-16)14(2)18/h9-11,13H,3-8,12H2,1-2H3
InChIKeyOXHYBEOBTKSZMY-UHFFFAOYSA-N
XLogP4.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetylphenyl)nonan-1-one;benzoic acid;carbon dioxide
CID 159969229
1-(3-bromophenyl)dodecan-1-one
CID 146009457
19-[3-[10-(3-nonanoylphenyl)-10-oxodecanoyl]phenyl]-10,19-dioxononadecanoic acid
CID 160612211
1-(3-aminophenyl)decan-1-one
CID 116548502
1-(3-ethylphenyl)octan-1-one
CID 115788827
1-(3-aminophenyl)undecan-1-one
CID 116548557
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(3-propylphenyl)heptan-1-one
CID 115812204
1-phenylheptadecan-1-one
CID 577626
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)nonan-1-one?
The IUPAC name of 1-(3-acetylphenyl)nonan-1-one (CID 159969230) is 1-(3-acetylphenyl)nonan-1-one.
What is the SMILES notation for 1-(3-acetylphenyl)nonan-1-one?
The canonical SMILES for 1-(3-acetylphenyl)nonan-1-one is CCCCCCCCC(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)nonan-1-one?
The InChIKey is OXHYBEOBTKSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-4-5-6-7-8-12-17(19)16-11-9-10-15(13-16)14(2)18/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of 1-(3-acetylphenyl)nonan-1-one?
1-(3-acetylphenyl)nonan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)nonan-1-one is sourced from PubChem (CID 159969230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).