phenol;phosphorous acid

C18H21O6P — CID 158212262

IUPACphenol;phosphorous acid
SMILESOP(O)O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/3C6H6O.H3O3P/c3*7-6-4-2-1-3-5-6;1-4(2)3/h3*1-5,7H;1-3H
InChIKeyGCFJYAXFNCSAFC-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.37
Rot. Bonds

About phenol;phosphorous acid

phenol;phosphorous acid (PubChem CID 158212262) has the molecular formula C18H21O6P and a molecular weight of 364.33 g/mol. Its IUPAC name is phenol;phosphorous acid.

Molecular Properties

Compound Namephenol;phosphorous acid
PubChem CID158212262
Molecular FormulaC18H21O6P
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Namephenol;phosphorous acid
SMILESOP(O)O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/3C6H6O.H3O3P/c3*7-6-4-2-1-3-5-6;1-4(2)3/h3*1-5,7H;1-3H
InChIKeyGCFJYAXFNCSAFC-UHFFFAOYSA-N
XLogP3.37
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.33
LogP ≤ 53.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenol;phosphorous acid?
The IUPAC name of phenol;phosphorous acid (CID 158212262) is phenol;phosphorous acid.
What is the SMILES notation for phenol;phosphorous acid?
The canonical SMILES for phenol;phosphorous acid is OP(O)O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;phosphorous acid?
The InChIKey is GCFJYAXFNCSAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6O.H3O3P/c3*7-6-4-2-1-3-5-6;1-4(2)3/h3*1-5,7H;1-3H.
What are the key properties of phenol;phosphorous acid?
phenol;phosphorous acid has a molecular weight of 364.33 g/mol, XLogP of 3.37, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phosphorous acid is sourced from PubChem (CID 158212262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).