2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide

C12H15Br2OP — CID 102258017

IUPAC2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
SMILESCC1CP(=O)(c2ccccc2)C(Br)C1(C)Br
InChIInChI=1S/C12H15Br2OP/c1-9-8-16(15,11(13)12(9,2)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRUFLBUJHZBQMDE-UHFFFAOYSA-N
MW366.03 g/mol
LogP4.20
Rot. Bonds1

About 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide

2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide (PubChem CID 102258017) has the molecular formula C12H15Br2OP and a molecular weight of 366.03 g/mol. Its IUPAC name is 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
PubChem CID102258017
Molecular FormulaC12H15Br2OP
Molecular Weight366.03 g/mol
Exact Mass363.92
IUPAC Name2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
SMILESCC1CP(=O)(c2ccccc2)C(Br)C1(C)Br
InChIInChI=1S/C12H15Br2OP/c1-9-8-16(15,11(13)12(9,2)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRUFLBUJHZBQMDE-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.03
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide
CID 25014281
3-bromo-4-methyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102170737
3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 14392855
(4S)-7-methyl-2-oxo-2-phenyl-2λ5-phosphabicyclo[2.2.1]heptan-5-one
CID 167093215
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
CID 15870159
(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 134986821
(1R,3S)-3-methyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 23419049
(1R,3aS,6aS)-3a,4-dimethyl-1-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]phosphole 1-oxide
CID 23422023
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 23454564
2,3-dibromo-3,4-dimethyl-2,4-dihydro-1H-naphthalene
CID 102018319

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide?
The IUPAC name of 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide (CID 102258017) is 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide is CC1CP(=O)(c2ccccc2)C(Br)C1(C)Br.
What is the InChIKey of 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide?
The InChIKey is RUFLBUJHZBQMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2OP/c1-9-8-16(15,11(13)12(9,2)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide?
2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide has a molecular weight of 366.03 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 102258017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).