1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one

C24H26BrOP — CID 15016567

IUPAC1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrOP/c1-20(2)18-21(26)19-27(25,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20H,18-19H2,1-2H3
InChIKeyYZDSGPIHEBUIFX-UHFFFAOYSA-N
MW441.35 g/mol
LogP5.44
Rot. Bonds7

About 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one

1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one (PubChem CID 15016567) has the molecular formula C24H26BrOP and a molecular weight of 441.35 g/mol. Its IUPAC name is 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one
PubChem CID15016567
Molecular FormulaC24H26BrOP
Molecular Weight441.35 g/mol
Exact Mass440.09
IUPAC Name1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BrOP/c1-20(2)18-21(26)19-27(25,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20H,18-19H2,1-2H3
InChIKeyYZDSGPIHEBUIFX-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-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

2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
2-[bromo(triphenyl)-λ5-phosphanyl]-1-[4-(fluoromethyl)phenyl]ethanone
CID 140746662
bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
CID 14002017
2,6-dimethylheptan-4-one;1,4-xylene
CID 70503285
(E)-4-[bromo(triphenyl)-lambda5-phosphanyl]but-3-en-2-one
CID 12885465
3-benzyl-7-methyloctane-2,5-dione
CID 102193743
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
bromo-(4-methylpent-3-enyl)-triphenyl-lambda5-phosphane
CID 14336617
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
bromobenzene;propyl 3-methylbutanoate
CID 174540636
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
(2-bromophenyl) 3-methylbutanoate
CID 121271794

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one?
The IUPAC name of 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one (CID 15016567) is 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one?
The canonical SMILES for 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one is CC(C)CC(=O)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one?
The InChIKey is YZDSGPIHEBUIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrOP/c1-20(2)18-21(26)19-27(25,22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20H,18-19H2,1-2H3.
What are the key properties of 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one?
1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one has a molecular weight of 441.35 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one is sourced from PubChem (CID 15016567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).