diphenylphosphane;toluene;hydrochloride

C19H20ClP — CID 174856667

IUPACdiphenylphosphane;toluene;hydrochloride
SMILESCc1ccccc1.Cl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C7H8.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-5-3-2-4-6-7;/h1-10,13H;2-6H,1H3;1H
InChIKeyDJPXMZXEYDFAQE-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.73
Rot. Bonds2

About diphenylphosphane;toluene;hydrochloride

diphenylphosphane;toluene;hydrochloride (PubChem CID 174856667) has the molecular formula C19H20ClP and a molecular weight of 314.80 g/mol. Its IUPAC name is diphenylphosphane;toluene;hydrochloride.

Molecular Properties

Compound Namediphenylphosphane;toluene;hydrochloride
PubChem CID174856667
Molecular FormulaC19H20ClP
Molecular Weight314.80 g/mol
Exact Mass314.10
IUPAC Namediphenylphosphane;toluene;hydrochloride
SMILESCc1ccccc1.Cl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C7H8.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-5-3-2-4-6-7;/h1-10,13H;2-6H,1H3;1H
InChIKeyDJPXMZXEYDFAQE-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;toluene;hydrochloride?
The IUPAC name of diphenylphosphane;toluene;hydrochloride (CID 174856667) is diphenylphosphane;toluene;hydrochloride.
What is the SMILES notation for diphenylphosphane;toluene;hydrochloride?
The canonical SMILES for diphenylphosphane;toluene;hydrochloride is Cc1ccccc1.Cl.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;toluene;hydrochloride?
The InChIKey is DJPXMZXEYDFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C7H8.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-5-3-2-4-6-7;/h1-10,13H;2-6H,1H3;1H.
What are the key properties of diphenylphosphane;toluene;hydrochloride?
diphenylphosphane;toluene;hydrochloride has a molecular weight of 314.80 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;toluene;hydrochloride is sourced from PubChem (CID 174856667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).