N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine

C13H12NO4P — CID 4188081

IUPACN-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine
SMILESCOc1ccc(NP2(=O)Oc3ccccc3O2)cc1
InChIInChI=1S/C13H12NO4P/c1-16-11-8-6-10(7-9-11)14-19(15)17-12-4-2-3-5-13(12)18-19/h2-9H,1H3,(H,14,15)
InChIKeyKFVUBZCVDRRFDZ-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.69
Rot. Bonds3

About N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine

N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine (PubChem CID 4188081) has the molecular formula C13H12NO4P and a molecular weight of 277.22 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine
PubChem CID4188081
Molecular FormulaC13H12NO4P
Molecular Weight277.22 g/mol
Exact Mass277.05
IUPAC NameN-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine
SMILESCOc1ccc(NP2(=O)Oc3ccccc3O2)cc1
InChIInChI=1S/C13H12NO4P/c1-16-11-8-6-10(7-9-11)14-19(15)17-12-4-2-3-5-13(12)18-19/h2-9H,1H3,(H,14,15)
InChIKeyKFVUBZCVDRRFDZ-UHFFFAOYSA-N
XLogP3.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.69
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 N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine (CID 4188081) is N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine is COc1ccc(NP2(=O)Oc3ccccc3O2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine?
The InChIKey is KFVUBZCVDRRFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO4P/c1-16-11-8-6-10(7-9-11)14-19(15)17-12-4-2-3-5-13(12)18-19/h2-9H,1H3,(H,14,15).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine?
N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine has a molecular weight of 277.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-benzodioxaphosphol-2-amine is sourced from PubChem (CID 4188081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).