2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide

C10H11O2P — CID 102257098

IUPAC2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
SMILESO=P1(c2ccccc2)CCC2OC21
InChIInChI=1S/C10H11O2P/c11-13(7-6-9-10(13)12-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyCUZLKQIXYIUJBJ-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.80
Rot. Bonds1

About 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide

2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide (PubChem CID 102257098) has the molecular formula C10H11O2P and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide.

Molecular Properties

Compound Name2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
PubChem CID102257098
Molecular FormulaC10H11O2P
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
SMILESO=P1(c2ccccc2)CCC2OC21
InChIInChI=1S/C10H11O2P/c11-13(7-6-9-10(13)12-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeyCUZLKQIXYIUJBJ-UHFFFAOYSA-N
XLogP1.80
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
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
(1R,2R,3S)-2-bromo-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 134986821
2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 102301475
2-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
CID 4134640
1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene
CID 177449424
2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
(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-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
CID 132561705
[bis(3,5-ditert-butylphenyl)-(1-oxo-1-phenyl-1λ5-phospholan-2-yl)methyl]-oxophosphanium
CID 154081538

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide?
The IUPAC name of 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide (CID 102257098) is 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide.
What is the SMILES notation for 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide?
The canonical SMILES for 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide is O=P1(c2ccccc2)CCC2OC21.
What is the InChIKey of 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide?
The InChIKey is CUZLKQIXYIUJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2P/c11-13(7-6-9-10(13)12-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide?
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide has a molecular weight of 194.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide is sourced from PubChem (CID 102257098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).