2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide

C19H20BrOP — CID 132604573

IUPAC2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide
SMILESCCC1(CC)C=C(Br)P(=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H20BrOP/c1-3-19(4-2)14-18(20)22(21,15-10-6-5-7-11-15)17-13-9-8-12-16(17)19/h5-14H,3-4H2,1-2H3
InChIKeyBPIHXSCXLLJOSI-UHFFFAOYSA-N
MW375.25 g/mol
LogP5.31
Rot. Bonds3

About 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide

2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide (PubChem CID 132604573) has the molecular formula C19H20BrOP and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide.

Molecular Properties

Compound Name2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide
PubChem CID132604573
Molecular FormulaC19H20BrOP
Molecular Weight375.25 g/mol
Exact Mass374.04
IUPAC Name2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide
SMILESCCC1(CC)C=C(Br)P(=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H20BrOP/c1-3-19(4-2)14-18(20)22(21,15-10-6-5-7-11-15)17-13-9-8-12-16(17)19/h5-14H,3-4H2,1-2H3
InChIKeyBPIHXSCXLLJOSI-UHFFFAOYSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.25
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-(2,2-dimethylpropyl)-5-oxo-5-phenylacridophosphin-10-ol
CID 23280089
6-(deuteriomethyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene 6,14-dioxide;tris(6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide);propane
CID 159985686
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
CID 102415355
3-methyl-1-phenyl-2-propylphosphindole 1-oxide
CID 134842657
2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
CID 59167240
2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide
CID 71385233
2-heptadecyl-1,3-diphenylphosphindole 1-oxide
CID 164676848
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
CID 134395999
1-ethyl-3-phenyl-1-propylindene
CID 176714898
3-[4-(9,9-dimethyl-10-phenyl-10H-anthracen-2-yl)phenyl]-10,10-dimethyl-5-phenylacridophosphine 5-oxide
CID 153291882
3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
CID 122684935

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide?
The IUPAC name of 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide (CID 132604573) is 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide.
What is the SMILES notation for 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide?
The canonical SMILES for 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide is CCC1(CC)C=C(Br)P(=O)(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide?
The InChIKey is BPIHXSCXLLJOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrOP/c1-3-19(4-2)14-18(20)22(21,15-10-6-5-7-11-15)17-13-9-8-12-16(17)19/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide?
2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide has a molecular weight of 375.25 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4-diethyl-1-phenylphosphinoline 1-oxide is sourced from PubChem (CID 132604573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).