phenol;phosphane

C12H33O2P7 — CID 159689182

IUPACphenol;phosphane
SMILESOc1ccccc1.Oc1ccccc1.P.P.P.P.P.P.P
InChIInChI=1S/2C6H6O.7H3P/c2*7-6-4-2-1-3-5-6;;;;;;;/h2*1-5,7H;7*1H3
InChIKeyMWEOSGUVNPZVJX-UHFFFAOYSA-N
MW426.21 g/mol
LogP3.19
Rot. Bonds

About phenol;phosphane

phenol;phosphane (PubChem CID 159689182) has the molecular formula C12H33O2P7 and a molecular weight of 426.21 g/mol. Its IUPAC name is phenol;phosphane.

Molecular Properties

Compound Namephenol;phosphane
PubChem CID159689182
Molecular FormulaC12H33O2P7
Molecular Weight426.21 g/mol
Exact Mass426.06
IUPAC Namephenol;phosphane
SMILESOc1ccccc1.Oc1ccccc1.P.P.P.P.P.P.P
InChIInChI=1S/2C6H6O.7H3P/c2*7-6-4-2-1-3-5-6;;;;;;;/h2*1-5,7H;7*1H3
InChIKeyMWEOSGUVNPZVJX-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenol;phosphane;zirconium
CID 162496766
phenol;phosphane;trihydrochloride
CID 174862771
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
CID 161001247
CID 161001247
phenol;chloride
CID 23313261

Frequently Asked Questions

What is the IUPAC name of phenol;phosphane?
The IUPAC name of phenol;phosphane (CID 159689182) is phenol;phosphane.
What is the SMILES notation for phenol;phosphane?
The canonical SMILES for phenol;phosphane is Oc1ccccc1.Oc1ccccc1.P.P.P.P.P.P.P.
What is the InChIKey of phenol;phosphane?
The InChIKey is MWEOSGUVNPZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.7H3P/c2*7-6-4-2-1-3-5-6;;;;;;;/h2*1-5,7H;7*1H3.
What are the key properties of phenol;phosphane?
phenol;phosphane has a molecular weight of 426.21 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phosphane is sourced from PubChem (CID 159689182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).