tris(2-methylphenyl) phosphite dichloride

C21H21Cl2O3P-2 — CID 23333528

IUPACtris(2-methylphenyl) phosphite dichloride
SMILESCc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C.[Cl-].[Cl-]
InChIInChI=1S/C21H21O3P.2ClH/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;2*1H/p-2
InChIKeyDBLLQROLCMTZJP-UHFFFAOYSA-L
MW423.28 g/mol
LogP0.38
Rot. Bonds6

About tris(2-methylphenyl) phosphite dichloride

tris(2-methylphenyl) phosphite dichloride (PubChem CID 23333528) has the molecular formula C21H21Cl2O3P-2 and a molecular weight of 423.28 g/mol. Its IUPAC name is tris(2-methylphenyl) phosphite dichloride.

Molecular Properties

Compound Nametris(2-methylphenyl) phosphite dichloride
PubChem CID23333528
Molecular FormulaC21H21Cl2O3P-2
Molecular Weight423.28 g/mol
Exact Mass422.06
IUPAC Nametris(2-methylphenyl) phosphite dichloride
SMILESCc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C.[Cl-].[Cl-]
InChIInChI=1S/C21H21O3P.2ClH/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;2*1H/p-2
InChIKeyDBLLQROLCMTZJP-UHFFFAOYSA-L
XLogP0.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylphenyl) phosphite dichloride?
The IUPAC name of tris(2-methylphenyl) phosphite dichloride (CID 23333528) is tris(2-methylphenyl) phosphite dichloride.
What is the SMILES notation for tris(2-methylphenyl) phosphite dichloride?
The canonical SMILES for tris(2-methylphenyl) phosphite dichloride is Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C.[Cl-].[Cl-].
What is the InChIKey of tris(2-methylphenyl) phosphite dichloride?
The InChIKey is DBLLQROLCMTZJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21O3P.2ClH/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3;;/h4-15H,1-3H3;2*1H/p-2.
What are the key properties of tris(2-methylphenyl) phosphite dichloride?
tris(2-methylphenyl) phosphite dichloride has a molecular weight of 423.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylphenyl) phosphite dichloride is sourced from PubChem (CID 23333528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).