bis(benzene-1,4-diol);methyl(oxo)phosphanium

C13H16O5P+ — CID 161479555

IUPACbis(benzene-1,4-diol);methyl(oxo)phosphanium
SMILESC[PH+]=O.Oc1ccc(O)cc1.Oc1ccc(O)cc1
InChIInChI=1S/2C6H6O2.CH3OP/c2*7-5-1-2-6(8)4-3-5;1-3-2/h2*1-4,7-8H;1H3/p+1
InChIKeyWEECDFWGQWDWJD-UHFFFAOYSA-O
MW283.24 g/mol
LogP2.84
Rot. Bonds

About bis(benzene-1,4-diol);methyl(oxo)phosphanium

bis(benzene-1,4-diol);methyl(oxo)phosphanium (PubChem CID 161479555) has the molecular formula C13H16O5P+ and a molecular weight of 283.24 g/mol. Its IUPAC name is bis(benzene-1,4-diol);methyl(oxo)phosphanium.

Molecular Properties

Compound Namebis(benzene-1,4-diol);methyl(oxo)phosphanium
PubChem CID161479555
Molecular FormulaC13H16O5P+
Molecular Weight283.24 g/mol
Exact Mass283.07
IUPAC Namebis(benzene-1,4-diol);methyl(oxo)phosphanium
SMILESC[PH+]=O.Oc1ccc(O)cc1.Oc1ccc(O)cc1
InChIInChI=1S/2C6H6O2.CH3OP/c2*7-5-1-2-6(8)4-3-5;1-3-2/h2*1-4,7-8H;1H3/p+1
InChIKeyWEECDFWGQWDWJD-UHFFFAOYSA-O
XLogP2.84
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,4-diol);methyl(oxo)phosphanium?
The IUPAC name of bis(benzene-1,4-diol);methyl(oxo)phosphanium (CID 161479555) is bis(benzene-1,4-diol);methyl(oxo)phosphanium.
What is the SMILES notation for bis(benzene-1,4-diol);methyl(oxo)phosphanium?
The canonical SMILES for bis(benzene-1,4-diol);methyl(oxo)phosphanium is C[PH+]=O.Oc1ccc(O)cc1.Oc1ccc(O)cc1.
What is the InChIKey of bis(benzene-1,4-diol);methyl(oxo)phosphanium?
The InChIKey is WEECDFWGQWDWJD-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H6O2.CH3OP/c2*7-5-1-2-6(8)4-3-5;1-3-2/h2*1-4,7-8H;1H3/p+1.
What are the key properties of bis(benzene-1,4-diol);methyl(oxo)phosphanium?
bis(benzene-1,4-diol);methyl(oxo)phosphanium has a molecular weight of 283.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,4-diol);methyl(oxo)phosphanium is sourced from PubChem (CID 161479555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).