6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide

C15H16ClN4O2P — CID 11739606

IUPAC6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide
SMILESCN1N=C(c2ccc(Cl)cc2)NN(C)P1(=O)Oc1ccccc1
InChIInChI=1S/C15H16ClN4O2P/c1-19-17-15(12-8-10-13(16)11-9-12)18-20(2)23(19,21)22-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18)
InChIKeyQGNILABJOQLPQH-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.57
Rot. Bonds3

About 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide

6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide (PubChem CID 11739606) has the molecular formula C15H16ClN4O2P and a molecular weight of 350.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide
PubChem CID11739606
Molecular FormulaC15H16ClN4O2P
Molecular Weight350.75 g/mol
Exact Mass350.07
IUPAC Name6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide
SMILESCN1N=C(c2ccc(Cl)cc2)NN(C)P1(=O)Oc1ccccc1
InChIInChI=1S/C15H16ClN4O2P/c1-19-17-15(12-8-10-13(16)11-9-12)18-20(2)23(19,21)22-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18)
InChIKeyQGNILABJOQLPQH-UHFFFAOYSA-N
XLogP3.57
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
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 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
The IUPAC name of 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide (CID 11739606) is 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide.
What is the SMILES notation for 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
The canonical SMILES for 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide is CN1N=C(c2ccc(Cl)cc2)NN(C)P1(=O)Oc1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
The InChIKey is QGNILABJOQLPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN4O2P/c1-19-17-15(12-8-10-13(16)11-9-12)18-20(2)23(19,21)22-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,17,18).
What are the key properties of 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide has a molecular weight of 350.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide is sourced from PubChem (CID 11739606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).