1-(2-benzoylphenyl)hexan-1-one

C19H20O2 — CID 158745155

IUPAC1-(2-benzoylphenyl)hexan-1-one
SMILESCCCCCC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-3-5-14-18(20)16-12-8-9-13-17(16)19(21)15-10-6-4-7-11-15/h4,6-13H,2-3,5,14H2,1H3
InChIKeyIMUHIAGWLHIKLI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.68
Rot. Bonds7

About 1-(2-benzoylphenyl)hexan-1-one

1-(2-benzoylphenyl)hexan-1-one (PubChem CID 158745155) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-benzoylphenyl)hexan-1-one.

Molecular Properties

Compound Name1-(2-benzoylphenyl)hexan-1-one
PubChem CID158745155
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(2-benzoylphenyl)hexan-1-one
SMILESCCCCCC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-3-5-14-18(20)16-12-8-9-13-17(16)19(21)15-10-6-4-7-11-15/h4,6-13H,2-3,5,14H2,1H3
InChIKeyIMUHIAGWLHIKLI-UHFFFAOYSA-N
XLogP4.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-benzoylphenyl)hexan-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

1-phenylheptadecan-1-one
CID 577626
1-(2-benzoylphenyl)-3-chloropropan-1-one
CID 172792049
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)nonan-1-one
CID 63409672
phenyl-(2-tridecylphenyl)methanone
CID 159151783
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
ethane;1-phenylpentan-1-one
CID 143728184
2-octanoylbenzonitrile
CID 141041732
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
1-naphthalen-1-yldodecan-1-one
CID 3424169

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylphenyl)hexan-1-one?
The IUPAC name of 1-(2-benzoylphenyl)hexan-1-one (CID 158745155) is 1-(2-benzoylphenyl)hexan-1-one.
What is the SMILES notation for 1-(2-benzoylphenyl)hexan-1-one?
The canonical SMILES for 1-(2-benzoylphenyl)hexan-1-one is CCCCCC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 1-(2-benzoylphenyl)hexan-1-one?
The InChIKey is IMUHIAGWLHIKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-3-5-14-18(20)16-12-8-9-13-17(16)19(21)15-10-6-4-7-11-15/h4,6-13H,2-3,5,14H2,1H3.
What are the key properties of 1-(2-benzoylphenyl)hexan-1-one?
1-(2-benzoylphenyl)hexan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylphenyl)hexan-1-one is sourced from PubChem (CID 158745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).