6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide

C12H9O3P — CID 11402004

IUPAC6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H9O3P/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16/h1-8H,(H,13,14)
InChIKeyYTLIXUAGIGBJAF-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.56
Rot. Bonds

About 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide

6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 11402004) has the molecular formula C12H9O3P and a molecular weight of 232.18 g/mol. Its IUPAC name is 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID11402004
Molecular FormulaC12H9O3P
Molecular Weight232.18 g/mol
Exact Mass232.03
IUPAC Name6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H9O3P/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16/h1-8H,(H,13,14)
InChIKeyYTLIXUAGIGBJAF-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 11402004) is 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1(O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is YTLIXUAGIGBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3P/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16/h1-8H,(H,13,14).
What are the key properties of 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 232.18 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 11402004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).