benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

C12H8O2P+ — CID 6328250

IUPACbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESO=[p+]1oc2ccccc2c2ccccc21
InChIInChI=1S/C12H8O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H/q+1
InChIKeyDWSWCPPGLRSPIT-UHFFFAOYSA-N
MW215.17 g/mol
LogP4.33
Rot. Bonds

About benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (PubChem CID 6328250) has the molecular formula C12H8O2P+ and a molecular weight of 215.17 g/mol. Its IUPAC name is benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.

Molecular Properties

Compound Namebenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
PubChem CID6328250
Molecular FormulaC12H8O2P+
Molecular Weight215.17 g/mol
Exact Mass215.03
IUPAC Namebenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESO=[p+]1oc2ccccc2c2ccccc21
InChIInChI=1S/C12H8O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H/q+1
InChIKeyDWSWCPPGLRSPIT-UHFFFAOYSA-N
XLogP4.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The IUPAC name of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (CID 6328250) is benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.
What is the SMILES notation for benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The canonical SMILES for benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is O=[p+]1oc2ccccc2c2ccccc21.
What is the InChIKey of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The InChIKey is DWSWCPPGLRSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H/q+1.
What are the key properties of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide has a molecular weight of 215.17 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is sourced from PubChem (CID 6328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).