18-methyl-1-phenylnonadecan-1-one

C26H44O — CID 141198244

IUPAC18-methyl-1-phenylnonadecan-1-one
SMILESCC(C)CCCCCCCCCCCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C26H44O/c1-24(2)20-16-13-11-9-7-5-3-4-6-8-10-12-14-19-23-26(27)25-21-17-15-18-22-25/h15,17-18,21-22,24H,3-14,16,19-20,23H2,1-2H3
InChIKeyQTODKDYNKSOIEF-UHFFFAOYSA-N
MW372.64 g/mol
LogP8.77
Rot. Bonds18

About 18-methyl-1-phenylnonadecan-1-one

18-methyl-1-phenylnonadecan-1-one (PubChem CID 141198244) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is 18-methyl-1-phenylnonadecan-1-one.

Molecular Properties

Compound Name18-methyl-1-phenylnonadecan-1-one
PubChem CID141198244
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name18-methyl-1-phenylnonadecan-1-one
SMILESCC(C)CCCCCCCCCCCCCCCCC(=O)c1ccccc1
InChIInChI=1S/C26H44O/c1-24(2)20-16-13-11-9-7-5-3-4-6-8-10-12-14-19-23-26(27)25-21-17-15-18-22-25/h15,17-18,21-22,24H,3-14,16,19-20,23H2,1-2H3
InChIKeyQTODKDYNKSOIEF-UHFFFAOYSA-N
XLogP8.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 18-methyl-1-phenylnonadecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-1-phenylheptan-1-one
CID 64505975
1,15-diphenylpentadecane-1,15-dione
CID 159981687
benzoic acid;16-methylheptadecanoic acid
CID 70376477
7-methyloctyl 4-oxo-4-phenylbutanoate
CID 123479045
2-methyl-7-oxo-7-phenylheptanamide
CID 141075090
1-phenylheptadecan-1-one
CID 577626
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
CID 13147766
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
1-phenylheptane-1,6-dione
CID 11333176
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
6,6-diethoxy-1-phenylhexan-1-one
CID 141451964

Frequently Asked Questions

What is the IUPAC name of 18-methyl-1-phenylnonadecan-1-one?
The IUPAC name of 18-methyl-1-phenylnonadecan-1-one (CID 141198244) is 18-methyl-1-phenylnonadecan-1-one.
What is the SMILES notation for 18-methyl-1-phenylnonadecan-1-one?
The canonical SMILES for 18-methyl-1-phenylnonadecan-1-one is CC(C)CCCCCCCCCCCCCCCCC(=O)c1ccccc1.
What is the InChIKey of 18-methyl-1-phenylnonadecan-1-one?
The InChIKey is QTODKDYNKSOIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O/c1-24(2)20-16-13-11-9-7-5-3-4-6-8-10-12-14-19-23-26(27)25-21-17-15-18-22-25/h15,17-18,21-22,24H,3-14,16,19-20,23H2,1-2H3.
What are the key properties of 18-methyl-1-phenylnonadecan-1-one?
18-methyl-1-phenylnonadecan-1-one has a molecular weight of 372.64 g/mol, XLogP of 8.77, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-1-phenylnonadecan-1-one is sourced from PubChem (CID 141198244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).