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

C16H18ClN4O2P — CID 23421420

IUPAC6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide
SMILESCN1N=C(Cc2ccc(Cl)cc2)NN(C)P1(=O)Oc1ccccc1
InChIInChI=1S/C16H18ClN4O2P/c1-20-18-16(12-13-8-10-14(17)11-9-13)19-21(2)24(20,22)23-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyLSTKIPAMUFWXHI-UHFFFAOYSA-N
MW364.77 g/mol
LogP3.76
Rot. Bonds4

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

6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide (PubChem CID 23421420) has the molecular formula C16H18ClN4O2P and a molecular weight of 364.77 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide
PubChem CID23421420
Molecular FormulaC16H18ClN4O2P
Molecular Weight364.77 g/mol
Exact Mass364.09
IUPAC Name6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide
SMILESCN1N=C(Cc2ccc(Cl)cc2)NN(C)P1(=O)Oc1ccccc1
InChIInChI=1S/C16H18ClN4O2P/c1-20-18-16(12-13-8-10-14(17)11-9-13)19-21(2)24(20,22)23-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,18,19)
InChIKeyLSTKIPAMUFWXHI-UHFFFAOYSA-N
XLogP3.76
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.77
LogP ≤ 53.76
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)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide (CID 23421420) is 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide is CN1N=C(Cc2ccc(Cl)cc2)NN(C)P1(=O)Oc1ccccc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
The InChIKey is LSTKIPAMUFWXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN4O2P/c1-20-18-16(12-13-8-10-14(17)11-9-13)19-21(2)24(20,22)23-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,18,19).
What are the key properties of 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide?
6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide has a molecular weight of 364.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-2,4-dimethyl-3-phenoxy-1H-1,2,4,5,3λ5-tetrazaphosphinine 3-oxide is sourced from PubChem (CID 23421420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).