phenol;phosphoric acid

C18H24O11P2 — CID 157339539

IUPACphenol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/3C6H6O.2H3O4P/c3*7-6-4-2-1-3-5-6;2*1-5(2,3)4/h3*1-5,7H;2*(H3,1,2,3,4)
InChIKeyBGFVNGZVSFJUIW-UHFFFAOYSA-N
MW478.33 g/mol
LogP2.32
Rot. Bonds

About phenol;phosphoric acid

phenol;phosphoric acid (PubChem CID 157339539) has the molecular formula C18H24O11P2 and a molecular weight of 478.33 g/mol. Its IUPAC name is phenol;phosphoric acid.

Molecular Properties

Compound Namephenol;phosphoric acid
PubChem CID157339539
Molecular FormulaC18H24O11P2
Molecular Weight478.33 g/mol
Exact Mass478.08
IUPAC Namephenol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/3C6H6O.2H3O4P/c3*7-6-4-2-1-3-5-6;2*1-5(2,3)4/h3*1-5,7H;2*(H3,1,2,3,4)
InChIKeyBGFVNGZVSFJUIW-UHFFFAOYSA-N
XLogP2.32
TPSA216.21 Ų
H-Bond Donors9
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.33
LogP ≤ 52.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;phenol;phosphoric acid
CID 70560640
methylphosphonic acid;phenol
CID 175231709
molecular oxygen;phenol
CID 141080591
benzene-1,4-diol;phosphoric acid
CID 87092335
aluminum;phenol;phosphate;hydrate
CID 175894244
CID 67496590
CID 67496590
neodymium;phenol
CID 154361260
phenol;bis(yttrium)
CID 59089942
phenol;phosphane
CID 159689182
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
phenol;tantalum
CID 19915613

Frequently Asked Questions

What is the IUPAC name of phenol;phosphoric acid?
The IUPAC name of phenol;phosphoric acid (CID 157339539) is phenol;phosphoric acid.
What is the SMILES notation for phenol;phosphoric acid?
The canonical SMILES for phenol;phosphoric acid is O=P(O)(O)O.O=P(O)(O)O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;phosphoric acid?
The InChIKey is BGFVNGZVSFJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6O.2H3O4P/c3*7-6-4-2-1-3-5-6;2*1-5(2,3)4/h3*1-5,7H;2*(H3,1,2,3,4).
What are the key properties of phenol;phosphoric acid?
phenol;phosphoric acid has a molecular weight of 478.33 g/mol, XLogP of 2.32, 0 rotatable bonds, 9 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phosphoric acid is sourced from PubChem (CID 157339539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).