(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide

C11H14BrO2P — CID 134986821

IUPAC(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
SMILESCO[C@H]1CC[P@@](=O)(c2ccccc2)[C@@H]1Br
InChIInChI=1S/C11H14BrO2P/c1-14-10-7-8-15(13,11(10)12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-,15+/m0/s1
InChIKeyWUNXOKLFUMDZCW-ZIBATOQPSA-N
MW289.11 g/mol
LogP2.81
Rot. Bonds2

About (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide

(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide (PubChem CID 134986821) has the molecular formula C11H14BrO2P and a molecular weight of 289.11 g/mol. Its IUPAC name is (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
PubChem CID134986821
Molecular FormulaC11H14BrO2P
Molecular Weight289.11 g/mol
Exact Mass287.99
IUPAC Name(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
SMILESCO[C@H]1CC[P@@](=O)(c2ccccc2)[C@@H]1Br
InChIInChI=1S/C11H14BrO2P/c1-14-10-7-8-15(13,11(10)12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-,15+/m0/s1
InChIKeyWUNXOKLFUMDZCW-ZIBATOQPSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 102301475
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
(1S,2S,3S)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 101335233
3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide
CID 142765666
2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide
CID 11129874
2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102258017
ethyl 2-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)acetate
CID 68526810
3-bromo-4-methyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102170737
(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
CID 15870159
(1R,3S)-3-methyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 23419049
(1R,2R)-2-(2-diphenylphosphorylpropan-2-yl)-1-phenyl-1λ5-phospholane 1-oxide
CID 91380508

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
The IUPAC name of (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide (CID 134986821) is (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
The canonical SMILES for (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide is CO[C@H]1CC[P@@](=O)(c2ccccc2)[C@@H]1Br.
What is the InChIKey of (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
The InChIKey is WUNXOKLFUMDZCW-ZIBATOQPSA-N. The full InChI is InChI=1S/C11H14BrO2P/c1-14-10-7-8-15(13,11(10)12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-,15+/m0/s1.
What are the key properties of (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide?
(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide has a molecular weight of 289.11 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 134986821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).