phenol;phosphane;trihydrochloride

C6H12Cl3OP — CID 174862771

IUPACphenol;phosphane;trihydrochloride
SMILESCl.Cl.Cl.Oc1ccccc1.P
InChIInChI=1S/C6H6O.3ClH.H3P/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;1H3
InChIKeyDRXVADPOYLBFEM-UHFFFAOYSA-N
MW237.49 g/mol
LogP2.72
Rot. Bonds

About phenol;phosphane;trihydrochloride

phenol;phosphane;trihydrochloride (PubChem CID 174862771) has the molecular formula C6H12Cl3OP and a molecular weight of 237.49 g/mol. Its IUPAC name is phenol;phosphane;trihydrochloride.

Molecular Properties

Compound Namephenol;phosphane;trihydrochloride
PubChem CID174862771
Molecular FormulaC6H12Cl3OP
Molecular Weight237.49 g/mol
Exact Mass235.97
IUPAC Namephenol;phosphane;trihydrochloride
SMILESCl.Cl.Cl.Oc1ccccc1.P
InChIInChI=1S/C6H6O.3ClH.H3P/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;1H3
InChIKeyDRXVADPOYLBFEM-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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molybdenum;phenol
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argon;phenol
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CID 67496590
neodymium;phenol
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CID 19915613
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CID 161001247

Frequently Asked Questions

What is the IUPAC name of phenol;phosphane;trihydrochloride?
The IUPAC name of phenol;phosphane;trihydrochloride (CID 174862771) is phenol;phosphane;trihydrochloride.
What is the SMILES notation for phenol;phosphane;trihydrochloride?
The canonical SMILES for phenol;phosphane;trihydrochloride is Cl.Cl.Cl.Oc1ccccc1.P.
What is the InChIKey of phenol;phosphane;trihydrochloride?
The InChIKey is DRXVADPOYLBFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.3ClH.H3P/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;1H3.
What are the key properties of phenol;phosphane;trihydrochloride?
phenol;phosphane;trihydrochloride has a molecular weight of 237.49 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;phosphane;trihydrochloride is sourced from PubChem (CID 174862771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).