2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide

C17H17Br2OP — CID 25014281

IUPAC2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide
SMILESCC1CC(Br)(c2ccccc2)C(Br)P1(=O)c1ccccc1
InChIInChI=1S/C17H17Br2OP/c1-13-12-17(19,14-8-4-2-5-9-14)16(18)21(13,20)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3
InChIKeyFYUMGBRVMDKOJK-UHFFFAOYSA-N
MW428.10 g/mol
LogP5.48
Rot. Bonds2

About 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide

2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide (PubChem CID 25014281) has the molecular formula C17H17Br2OP and a molecular weight of 428.10 g/mol. Its IUPAC name is 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide
PubChem CID25014281
Molecular FormulaC17H17Br2OP
Molecular Weight428.10 g/mol
Exact Mass425.94
IUPAC Name2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide
SMILESCC1CC(Br)(c2ccccc2)C(Br)P1(=O)c1ccccc1
InChIInChI=1S/C17H17Br2OP/c1-13-12-17(19,14-8-4-2-5-9-14)16(18)21(13,20)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3
InChIKeyFYUMGBRVMDKOJK-UHFFFAOYSA-N
XLogP5.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.10
LogP ≤ 55.48
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-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102258017
3-bromo-4-methyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102170737
(3R,4S)-3,4-dibromo-3-phenylthiolane 1,1-dioxide
CID 7452579
[2-bromo-1-(2,2-dibromocyclopropyl)cyclopropyl]benzene
CID 100969762
2-bromo-4,4-diphenylcyclohexan-1-one
CID 68684399
(2,2-dibromo-1,3-dimethylcyclopropyl)benzene
CID 14471431
(1R,3S)-3-methyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 23419049
2-methyl-4,4-diphenyloxane
CID 152721447
3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 14392855
(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
CID 12914054
(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane
CID 11436036
ethane;3-fluoro-3-phenylcyclobutan-1-amine
CID 178166277

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide?
The IUPAC name of 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide (CID 25014281) is 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide is CC1CC(Br)(c2ccccc2)C(Br)P1(=O)c1ccccc1.
What is the InChIKey of 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide?
The InChIKey is FYUMGBRVMDKOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2OP/c1-13-12-17(19,14-8-4-2-5-9-14)16(18)21(13,20)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3.
What are the key properties of 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide?
2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide has a molecular weight of 428.10 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-methyl-1,3-diphenyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 25014281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).