2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide

C11H15O4P — CID 70933940

IUPAC2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
SMILESCC(C)(C)OP1(=O)OCc2ccccc2O1
InChIInChI=1S/C11H15O4P/c1-11(2,3)15-16(12)13-8-9-6-4-5-7-10(9)14-16/h4-7H,8H2,1-3H3
InChIKeyYJDIVVJYEGCLBX-UHFFFAOYSA-N
MW242.21 g/mol
LogP3.52
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide

2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide (PubChem CID 70933940) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
PubChem CID70933940
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
SMILESCC(C)(C)OP1(=O)OCc2ccccc2O1
InChIInChI=1S/C11H15O4P/c1-11(2,3)15-16(12)13-8-9-6-4-5-7-10(9)14-16/h4-7H,8H2,1-3H3
InChIKeyYJDIVVJYEGCLBX-UHFFFAOYSA-N
XLogP3.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 53.52
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 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide (CID 70933940) is 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide is CC(C)(C)OP1(=O)OCc2ccccc2O1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide?
The InChIKey is YJDIVVJYEGCLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4P/c1-11(2,3)15-16(12)13-8-9-6-4-5-7-10(9)14-16/h4-7H,8H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide?
2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide has a molecular weight of 242.21 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide is sourced from PubChem (CID 70933940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).