phenol;phosphorous acid

C12H18O8P2 — CID 18428802

IUPACphenol;phosphorous acid
SMILESOP(O)O.OP(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.2H3O3P/c2*7-6-4-2-1-3-5-6;2*1-4(2)3/h2*1-5,7H;2*1-3H
InChIKeyHJKAMLBHPJHWRH-UHFFFAOYSA-N
MW352.22 g/mol
LogP1.16
Rot. Bonds

About phenol;phosphorous acid

phenol;phosphorous acid (PubChem CID 18428802) has the molecular formula C12H18O8P2 and a molecular weight of 352.22 g/mol. Its IUPAC name is phenol;phosphorous acid.

Molecular Properties

Compound Namephenol;phosphorous acid
PubChem CID18428802
Molecular FormulaC12H18O8P2
Molecular Weight352.22 g/mol
Exact Mass352.05
IUPAC Namephenol;phosphorous acid
SMILESOP(O)O.OP(O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.2H3O3P/c2*7-6-4-2-1-3-5-6;2*1-4(2)3/h2*1-5,7H;2*1-3H
InChIKeyHJKAMLBHPJHWRH-UHFFFAOYSA-N
XLogP1.16
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 51.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
aluminum phenol
CID 19023057
CID 159904044
CID 159904044
CID 161001247
CID 161001247
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942

Frequently Asked Questions

What is the IUPAC name of phenol;phosphorous acid?
The IUPAC name of phenol;phosphorous acid (CID 18428802) is phenol;phosphorous acid.
What is the SMILES notation for phenol;phosphorous acid?
The canonical SMILES for phenol;phosphorous acid is OP(O)O.OP(O)O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;phosphorous acid?
The InChIKey is HJKAMLBHPJHWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.2H3O3P/c2*7-6-4-2-1-3-5-6;2*1-4(2)3/h2*1-5,7H;2*1-3H.
What are the key properties of phenol;phosphorous acid?
phenol;phosphorous acid has a molecular weight of 352.22 g/mol, XLogP of 1.16, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phosphorous acid is sourced from PubChem (CID 18428802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).