(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol

C10H12BrO2P — CID 102301474

IUPAC(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
SMILESO=P1(c2ccccc2)CC[C@@H](O)[C@@H]1Br
InChIInChI=1S/C10H12BrO2P/c11-10-9(12)6-7-14(10,13)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-,14?/m1/s1
InChIKeyJIHYNLFMFJCOGQ-QYFJWPRKSA-N
MW275.08 g/mol
LogP2.16
Rot. Bonds1

About (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol

(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol (PubChem CID 102301474) has the molecular formula C10H12BrO2P and a molecular weight of 275.08 g/mol. Its IUPAC name is (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
PubChem CID102301474
Molecular FormulaC10H12BrO2P
Molecular Weight275.08 g/mol
Exact Mass273.98
IUPAC Name(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
SMILESO=P1(c2ccccc2)CC[C@@H](O)[C@@H]1Br
InChIInChI=1S/C10H12BrO2P/c11-10-9(12)6-7-14(10,13)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-,14?/m1/s1
InChIKeyJIHYNLFMFJCOGQ-QYFJWPRKSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 52.16
H-Bond Donors ≤ 51
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

(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 134986821
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
2,6-diphenyl-2λ5,6-diphosphabicyclo[3.1.0]hexane 2-oxide
CID 11129874
3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide
CID 142765666
3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
CID 132561705
2,3-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
CID 102258017
(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
CID 15870159
1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene
CID 23416550
(1-oxo-1,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-phosphinolin-3-yl)-phenylmethanone
CID 13263475
2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 102301475
(1R,3R)-1-oxo-1-phenyl-2,3-dihydro-1λ5-phosphol-3-ol
CID 11865274

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol?
The IUPAC name of (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol (CID 102301474) is (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol.
What is the SMILES notation for (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol?
The canonical SMILES for (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol is O=P1(c2ccccc2)CC[C@@H](O)[C@@H]1Br.
What is the InChIKey of (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol?
The InChIKey is JIHYNLFMFJCOGQ-QYFJWPRKSA-N. The full InChI is InChI=1S/C10H12BrO2P/c11-10-9(12)6-7-14(10,13)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-,14?/m1/s1.
What are the key properties of (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol?
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol has a molecular weight of 275.08 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol is sourced from PubChem (CID 102301474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).