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

C12H14O6P+ — CID 161269538

IUPACbis(benzene-1,4-diol);hydroxy(oxo)phosphanium
SMILESO=[PH+]O.Oc1ccc(O)cc1.Oc1ccc(O)cc1
InChIInChI=1S/2C6H6O2.HO2P/c2*7-5-1-2-6(8)4-3-5;1-3-2/h2*1-4,7-8H;3H/p+1
InChIKeyROFUMYREBOYXGI-UHFFFAOYSA-O
MW285.21 g/mol
LogP2.11
Rot. Bonds

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

bis(benzene-1,4-diol);hydroxy(oxo)phosphanium (PubChem CID 161269538) has the molecular formula C12H14O6P+ and a molecular weight of 285.21 g/mol. Its IUPAC name is bis(benzene-1,4-diol);hydroxy(oxo)phosphanium.

Molecular Properties

Compound Namebis(benzene-1,4-diol);hydroxy(oxo)phosphanium
PubChem CID161269538
Molecular FormulaC12H14O6P+
Molecular Weight285.21 g/mol
Exact Mass285.05
IUPAC Namebis(benzene-1,4-diol);hydroxy(oxo)phosphanium
SMILESO=[PH+]O.Oc1ccc(O)cc1.Oc1ccc(O)cc1
InChIInChI=1S/2C6H6O2.HO2P/c2*7-5-1-2-6(8)4-3-5;1-3-2/h2*1-4,7-8H;3H/p+1
InChIKeyROFUMYREBOYXGI-UHFFFAOYSA-O
XLogP2.11
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 52.11
H-Bond Donors ≤ 55
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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Related Compounds

bis(benzene-1,4-diol);methyl(oxo)phosphanium
CID 161479555
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
benzene-1,4-diol;hydron
CID 137356428
bis(benzene-1,4-diol);carbonic acid
CID 68999082
calcium;benzene-1,4-diol;hydride
CID 173044185
disodium;benzene-1,4-diol;hydride
CID 173178650
(4-hydroxyphenyl)methyl-oxophosphanium
CID 154446529
benzene-1,4-diol;phosphoric acid
CID 87092335
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
benzene-1,4-diol;bis(carbonochloridic acid)
CID 88626598
benzene-1,4-diol;carbamic acid
CID 158152403

Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,4-diol);hydroxy(oxo)phosphanium?
The IUPAC name of bis(benzene-1,4-diol);hydroxy(oxo)phosphanium (CID 161269538) is bis(benzene-1,4-diol);hydroxy(oxo)phosphanium.
What is the SMILES notation for bis(benzene-1,4-diol);hydroxy(oxo)phosphanium?
The canonical SMILES for bis(benzene-1,4-diol);hydroxy(oxo)phosphanium is O=[PH+]O.Oc1ccc(O)cc1.Oc1ccc(O)cc1.
What is the InChIKey of bis(benzene-1,4-diol);hydroxy(oxo)phosphanium?
The InChIKey is ROFUMYREBOYXGI-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H6O2.HO2P/c2*7-5-1-2-6(8)4-3-5;1-3-2/h2*1-4,7-8H;3H/p+1.
What are the key properties of bis(benzene-1,4-diol);hydroxy(oxo)phosphanium?
bis(benzene-1,4-diol);hydroxy(oxo)phosphanium has a molecular weight of 285.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,4-diol);hydroxy(oxo)phosphanium is sourced from PubChem (CID 161269538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).