3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol

C15H15O4P — CID 20662894

IUPAC3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
SMILESO=P1(CC(O)CO)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H15O4P/c16-9-11(17)10-20(18)15-8-4-2-6-13(15)12-5-1-3-7-14(12)19-20/h1-8,11,16-17H,9-10H2
InChIKeyJSDODTULBHRATA-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.00
Rot. Bonds3

About 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol

3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol (PubChem CID 20662894) has the molecular formula C15H15O4P and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
PubChem CID20662894
Molecular FormulaC15H15O4P
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
SMILESO=P1(CC(O)CO)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C15H15O4P/c16-9-11(17)10-20(18)15-8-4-2-6-13(15)12-5-1-3-7-14(12)19-20/h1-8,11,16-17H,9-10H2
InChIKeyJSDODTULBHRATA-UHFFFAOYSA-N
XLogP2.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
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 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol?
The IUPAC name of 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol (CID 20662894) is 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol?
The canonical SMILES for 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol is O=P1(CC(O)CO)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol?
The InChIKey is JSDODTULBHRATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O4P/c16-9-11(17)10-20(18)15-8-4-2-6-13(15)12-5-1-3-7-14(12)19-20/h1-8,11,16-17H,9-10H2.
What are the key properties of 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol?
3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol has a molecular weight of 290.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol is sourced from PubChem (CID 20662894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).