3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide

C15H19OP — CID 142765666

IUPAC3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide
SMILESO=P1(c2ccccc2)CCC2C3CCC(C3)C21
InChIInChI=1S/C15H19OP/c16-17(13-4-2-1-3-5-13)9-8-14-11-6-7-12(10-11)15(14)17/h1-5,11-12,14-15H,6-10H2
InChIKeyPSSPUTFWKNYPFD-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.49
Rot. Bonds1

About 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide

3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide (PubChem CID 142765666) has the molecular formula C15H19OP and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide.

Molecular Properties

Compound Name3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide
PubChem CID142765666
Molecular FormulaC15H19OP
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide
SMILESO=P1(c2ccccc2)CCC2C3CCC(C3)C21
InChIInChI=1S/C15H19OP/c16-17(13-4-2-1-3-5-13)9-8-14-11-6-7-12(10-11)15(14)17/h1-5,11-12,14-15H,6-10H2
InChIKeyPSSPUTFWKNYPFD-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
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-[(2R)-1-oxo-1-phenyl-1λ5-phospholan-2-yl]ethanol
CID 59127796
(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
CID 15870159
tricyclo[5.2.1.02,6]decan-4-one
CID 549023
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
CID 102175819
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
2-azido-3-methoxy-1-phenyl-1λ5-phospholane 1-oxide
CID 102301475
3-[2-(1-oxo-1-phenyl-1λ5-phospholan-3-yl)ethyl]-1-phenyl-1λ5-phospholane 1-oxide
CID 132561705
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide?
The IUPAC name of 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide (CID 142765666) is 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide.
What is the SMILES notation for 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide?
The canonical SMILES for 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide is O=P1(c2ccccc2)CCC2C3CCC(C3)C21.
What is the InChIKey of 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide?
The InChIKey is PSSPUTFWKNYPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19OP/c16-17(13-4-2-1-3-5-13)9-8-14-11-6-7-12(10-11)15(14)17/h1-5,11-12,14-15H,6-10H2.
What are the key properties of 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide?
3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide has a molecular weight of 246.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3λ5-phosphatricyclo[5.2.1.02,6]decane 3-oxide is sourced from PubChem (CID 142765666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).