benzene;dioxophosphanium;dihydrochloride

C18H20Cl2O2P+ — CID 173442056

IUPACbenzene;dioxophosphanium;dihydrochloride
SMILESCl.Cl.O=[P+]=O.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.2ClH.O2P/c3*1-2-4-6-5-3-1;;;1-3-2/h3*1-6H;2*1H;/q;;;;;+1
InChIKeyLZSZHIVVIWMBLR-UHFFFAOYSA-N
MW370.24 g/mol
LogP6.53
Rot. Bonds

About benzene;dioxophosphanium;dihydrochloride

benzene;dioxophosphanium;dihydrochloride (PubChem CID 173442056) has the molecular formula C18H20Cl2O2P+ and a molecular weight of 370.24 g/mol. Its IUPAC name is benzene;dioxophosphanium;dihydrochloride.

Molecular Properties

Compound Namebenzene;dioxophosphanium;dihydrochloride
PubChem CID173442056
Molecular FormulaC18H20Cl2O2P+
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Namebenzene;dioxophosphanium;dihydrochloride
SMILESCl.Cl.O=[P+]=O.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C6H6.2ClH.O2P/c3*1-2-4-6-5-3-1;;;1-3-2/h3*1-6H;2*1H;/q;;;;;+1
InChIKeyLZSZHIVVIWMBLR-UHFFFAOYSA-N
XLogP6.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;dioxophosphanium;dihydrochloride?
The IUPAC name of benzene;dioxophosphanium;dihydrochloride (CID 173442056) is benzene;dioxophosphanium;dihydrochloride.
What is the SMILES notation for benzene;dioxophosphanium;dihydrochloride?
The canonical SMILES for benzene;dioxophosphanium;dihydrochloride is Cl.Cl.O=[P+]=O.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;dioxophosphanium;dihydrochloride?
The InChIKey is LZSZHIVVIWMBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H6.2ClH.O2P/c3*1-2-4-6-5-3-1;;;1-3-2/h3*1-6H;2*1H;/q;;;;;+1.
What are the key properties of benzene;dioxophosphanium;dihydrochloride?
benzene;dioxophosphanium;dihydrochloride has a molecular weight of 370.24 g/mol, XLogP of 6.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dioxophosphanium;dihydrochloride is sourced from PubChem (CID 173442056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).