(4S)-4-methyl-1-phenyldecan-3-one

C17H26O — CID 134925721

IUPAC(4S)-4-methyl-1-phenyldecan-3-one
SMILESCCCCCC[C@H](C)C(=O)CCc1ccccc1
InChIInChI=1S/C17H26O/c1-3-4-5-7-10-15(2)17(18)14-13-16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13-14H2,1-2H3/t15-/m0/s1
InChIKeyKESXSKBRXICJGW-HNNXBMFYSA-N
MW246.39 g/mol
LogP4.79
Rot. Bonds9

About (4S)-4-methyl-1-phenyldecan-3-one

(4S)-4-methyl-1-phenyldecan-3-one (PubChem CID 134925721) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (4S)-4-methyl-1-phenyldecan-3-one.

Molecular Properties

Compound Name(4S)-4-methyl-1-phenyldecan-3-one
PubChem CID134925721
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(4S)-4-methyl-1-phenyldecan-3-one
SMILESCCCCCC[C@H](C)C(=O)CCc1ccccc1
InChIInChI=1S/C17H26O/c1-3-4-5-7-10-15(2)17(18)14-13-16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13-14H2,1-2H3/t15-/m0/s1
InChIKeyKESXSKBRXICJGW-HNNXBMFYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-methyl-1-phenyldecan-3-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

(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
(2S)-2,5-dimethyl-1-phenyldecan-4-one
CID 58389351
tetradecan-4-yl 3-phenylpropanoate
CID 591386
3-hydroxy-1-phenylnonan-4-one
CID 135039078
1-dimethoxyphosphanyl-3-methyl-8-phenyloctan-2-one
CID 129208043
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
(2-heptyl-9-methyldecyl) 3-phenylpropanoate
CID 130176670
1,1'-biphenyl;2-methyloctanoate
CID 22157313
3-nonyl-1-phenylpentane-2,4-dione
CID 70400980
3-(3-phenylpropyl)octadecanoic acid
CID 146469520
2-(benzylamino)nonanoic acid
CID 54889620

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-phenyldecan-3-one?
The IUPAC name of (4S)-4-methyl-1-phenyldecan-3-one (CID 134925721) is (4S)-4-methyl-1-phenyldecan-3-one.
What is the SMILES notation for (4S)-4-methyl-1-phenyldecan-3-one?
The canonical SMILES for (4S)-4-methyl-1-phenyldecan-3-one is CCCCCC[C@H](C)C(=O)CCc1ccccc1.
What is the InChIKey of (4S)-4-methyl-1-phenyldecan-3-one?
The InChIKey is KESXSKBRXICJGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-4-5-7-10-15(2)17(18)14-13-16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-4-methyl-1-phenyldecan-3-one?
(4S)-4-methyl-1-phenyldecan-3-one has a molecular weight of 246.39 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-phenyldecan-3-one is sourced from PubChem (CID 134925721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).