benzene-1,3-diol;phosphoric acid

C6H9O6P — CID 66603395

IUPACbenzene-1,3-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.H3O4P/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4,7-8H;(H3,1,2,3,4)
InChIKeyASDFHLVGJMRDTI-UHFFFAOYSA-N
MW208.11 g/mol
LogP0.17
Rot. Bonds

About benzene-1,3-diol;phosphoric acid

benzene-1,3-diol;phosphoric acid (PubChem CID 66603395) has the molecular formula C6H9O6P and a molecular weight of 208.11 g/mol. Its IUPAC name is benzene-1,3-diol;phosphoric acid.

Molecular Properties

Compound Namebenzene-1,3-diol;phosphoric acid
PubChem CID66603395
Molecular FormulaC6H9O6P
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Namebenzene-1,3-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.H3O4P/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4,7-8H;(H3,1,2,3,4)
InChIKeyASDFHLVGJMRDTI-UHFFFAOYSA-N
XLogP0.17
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 50.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diol;phosphoric acid
CID 87069465
benzene-1,3-diol;phosphane;phosphono dihydrogen phosphate
CID 174927128
bis(benzene-1,3-diol);formaldehyde
CID 174734201
bis(benzene-1,3-diol);hydrate
CID 174320343
benzene-1,3-diol;tris(yttrium)
CID 23386139
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
bis(benzene-1,3-diol);[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174668054
phenol;phosphoric acid
CID 157339539
benzene-1,3-diol;formaldehyde;silver
CID 174852688
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
benzene-1,3-diol;phenol
CID 23218590

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;phosphoric acid?
The IUPAC name of benzene-1,3-diol;phosphoric acid (CID 66603395) is benzene-1,3-diol;phosphoric acid.
What is the SMILES notation for benzene-1,3-diol;phosphoric acid?
The canonical SMILES for benzene-1,3-diol;phosphoric acid is O=P(O)(O)O.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;phosphoric acid?
The InChIKey is ASDFHLVGJMRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.H3O4P/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4,7-8H;(H3,1,2,3,4).
What are the key properties of benzene-1,3-diol;phosphoric acid?
benzene-1,3-diol;phosphoric acid has a molecular weight of 208.11 g/mol, XLogP of 0.17, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;phosphoric acid is sourced from PubChem (CID 66603395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).