(2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one

C19H14NO4P — CID 11864500

IUPAC(2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one
SMILESO=C1c2ccccc2O[P@](=O)(Oc2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H14NO4P/c21-19-17-13-7-8-14-18(17)24-25(22,23-16-11-5-2-6-12-16)20(19)15-9-3-1-4-10-15/h1-14H/t25-/m1/s1
InChIKeyDTJYDDKHFGIPLH-RUZDIDTESA-N
MW351.30 g/mol
LogP4.91
Rot. Bonds3

About (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one

(2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one (PubChem CID 11864500) has the molecular formula C19H14NO4P and a molecular weight of 351.30 g/mol. Its IUPAC name is (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one.

Molecular Properties

Compound Name(2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one
PubChem CID11864500
Molecular FormulaC19H14NO4P
Molecular Weight351.30 g/mol
Exact Mass351.07
IUPAC Name(2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one
SMILESO=C1c2ccccc2O[P@](=O)(Oc2ccccc2)N1c1ccccc1
InChIInChI=1S/C19H14NO4P/c21-19-17-13-7-8-14-18(17)24-25(22,23-16-11-5-2-6-12-16)20(19)15-9-3-1-4-10-15/h1-14H/t25-/m1/s1
InChIKeyDTJYDDKHFGIPLH-RUZDIDTESA-N
XLogP4.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one?
The IUPAC name of (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one (CID 11864500) is (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one.
What is the SMILES notation for (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one?
The canonical SMILES for (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one is O=C1c2ccccc2O[P@](=O)(Oc2ccccc2)N1c1ccccc1.
What is the InChIKey of (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one?
The InChIKey is DTJYDDKHFGIPLH-RUZDIDTESA-N. The full InChI is InChI=1S/C19H14NO4P/c21-19-17-13-7-8-14-18(17)24-25(22,23-16-11-5-2-6-12-16)20(19)15-9-3-1-4-10-15/h1-14H/t25-/m1/s1.
What are the key properties of (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one?
(2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one has a molecular weight of 351.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one is sourced from PubChem (CID 11864500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).