2-butyl-1-phenylnon-2-en-1-one

C19H28O — CID 57359358

IUPAC2-butyl-1-phenylnon-2-en-1-one
SMILESCCCCCCC=C(CCCC)C(=O)c1ccccc1
InChIInChI=1S/C19H28O/c1-3-5-7-8-10-14-17(13-6-4-2)19(20)18-15-11-9-12-16-18/h9,11-12,14-16H,3-8,10,13H2,1-2H3
InChIKeyMDUGTEZGGFPABB-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.96
Rot. Bonds10

About 2-butyl-1-phenylnon-2-en-1-one

2-butyl-1-phenylnon-2-en-1-one (PubChem CID 57359358) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-butyl-1-phenylnon-2-en-1-one.

Molecular Properties

Compound Name2-butyl-1-phenylnon-2-en-1-one
PubChem CID57359358
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-butyl-1-phenylnon-2-en-1-one
SMILESCCCCCCC=C(CCCC)C(=O)c1ccccc1
InChIInChI=1S/C19H28O/c1-3-5-7-8-10-14-17(13-6-4-2)19(20)18-15-11-9-12-16-18/h9,11-12,14-16H,3-8,10,13H2,1-2H3
InChIKeyMDUGTEZGGFPABB-UHFFFAOYSA-N
XLogP5.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-butyl-1-phenylnon-2-en-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

2-fluoro-1-phenyloct-2-en-1-one
CID 71437932
2-methylidene-3-phenylpentadec-3-enoic acid
CID 173433736
(E)-4-butyl-1-phenylnon-4-en-1-one
CID 12963608
methyl (E)-2-phenyloct-2-enoate
CID 13480316
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
[(3E)-3-hexylideneundecyl] benzoate
CID 134363962
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
2-phenylundec-2-ene-1-thiol
CID 175069404
2-hydroxyimino-1-phenylhexan-1-one
CID 71332647
2-octylundec-2-enoic acid
CID 87266721
(E)-2-octyldec-2-enoic acid
CID 87824483

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-phenylnon-2-en-1-one?
The IUPAC name of 2-butyl-1-phenylnon-2-en-1-one (CID 57359358) is 2-butyl-1-phenylnon-2-en-1-one.
What is the SMILES notation for 2-butyl-1-phenylnon-2-en-1-one?
The canonical SMILES for 2-butyl-1-phenylnon-2-en-1-one is CCCCCCC=C(CCCC)C(=O)c1ccccc1.
What is the InChIKey of 2-butyl-1-phenylnon-2-en-1-one?
The InChIKey is MDUGTEZGGFPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-3-5-7-8-10-14-17(13-6-4-2)19(20)18-15-11-9-12-16-18/h9,11-12,14-16H,3-8,10,13H2,1-2H3.
What are the key properties of 2-butyl-1-phenylnon-2-en-1-one?
2-butyl-1-phenylnon-2-en-1-one has a molecular weight of 272.43 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-phenylnon-2-en-1-one is sourced from PubChem (CID 57359358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).