2-methyl-9-phenylnonan-3-one

C16H24O — CID 58366233

IUPAC2-methyl-9-phenylnonan-3-one
SMILESCC(C)C(=O)CCCCCCc1ccccc1
InChIInChI=1S/C16H24O/c1-14(2)16(17)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
InChIKeyWPTCNXCLLACNJH-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.40
Rot. Bonds8

About 2-methyl-9-phenylnonan-3-one

2-methyl-9-phenylnonan-3-one (PubChem CID 58366233) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-methyl-9-phenylnonan-3-one.

Molecular Properties

Compound Name2-methyl-9-phenylnonan-3-one
PubChem CID58366233
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-methyl-9-phenylnonan-3-one
SMILESCC(C)C(=O)CCCCCCc1ccccc1
InChIInChI=1S/C16H24O/c1-14(2)16(17)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
InChIKeyWPTCNXCLLACNJH-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-7-phenylheptan-3-one
CID 13129845
15-phenylpentadecanoic acid
CID 2737151
1,9-diphenylnonan-5-one
CID 23467830
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
N-methyl-9-phenylnonanamide
CID 118028570
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
potassium 15-phenylpentadecanoate
CID 23717018
13-phenyltridecane-2,4-dione
CID 19792481
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
6-(3-bromophenyl)-2-methylhexan-3-one
CID 64505952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-phenylnonan-3-one?
The IUPAC name of 2-methyl-9-phenylnonan-3-one (CID 58366233) is 2-methyl-9-phenylnonan-3-one.
What is the SMILES notation for 2-methyl-9-phenylnonan-3-one?
The canonical SMILES for 2-methyl-9-phenylnonan-3-one is CC(C)C(=O)CCCCCCc1ccccc1.
What is the InChIKey of 2-methyl-9-phenylnonan-3-one?
The InChIKey is WPTCNXCLLACNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-14(2)16(17)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3.
What are the key properties of 2-methyl-9-phenylnonan-3-one?
2-methyl-9-phenylnonan-3-one has a molecular weight of 232.37 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-phenylnonan-3-one is sourced from PubChem (CID 58366233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).