2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide

C13H12NO2P — CID 15169832

IUPAC2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide
SMILESO=P1(c2ccccc2)CNc2ccccc2O1
InChIInChI=1S/C13H12NO2P/c15-17(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16-17/h1-9,14H,10H2
InChIKeyUHUMAQOHOIPQTL-UHFFFAOYSA-N
MW245.22 g/mol
LogP3.05
Rot. Bonds1

About 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide

2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide (PubChem CID 15169832) has the molecular formula C13H12NO2P and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide
PubChem CID15169832
Molecular FormulaC13H12NO2P
Molecular Weight245.22 g/mol
Exact Mass245.06
IUPAC Name2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide
SMILESO=P1(c2ccccc2)CNc2ccccc2O1
InChIInChI=1S/C13H12NO2P/c15-17(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16-17/h1-9,14H,10H2
InChIKeyUHUMAQOHOIPQTL-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide?
The IUPAC name of 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide (CID 15169832) is 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide.
What is the SMILES notation for 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide?
The canonical SMILES for 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide is O=P1(c2ccccc2)CNc2ccccc2O1.
What is the InChIKey of 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide?
The InChIKey is UHUMAQOHOIPQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO2P/c15-17(11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16-17/h1-9,14H,10H2.
What are the key properties of 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide?
2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide has a molecular weight of 245.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-1,4,2lambda5-benzoxazaphosphinine 2-oxide is sourced from PubChem (CID 15169832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).