tris(2-chlorophenyl) phosphite

C18H12Cl3O3P — CID 625281

IUPACtris(2-chlorophenyl) phosphite
SMILESClc1ccccc1OP(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C18H12Cl3O3P/c19-13-7-1-4-10-16(13)22-25(23-17-11-5-2-8-14(17)20)24-18-12-6-3-9-15(18)21/h1-12H
InChIKeyKXDRRFQARLPIBW-UHFFFAOYSA-N
MW413.62 g/mol
LogP7.41
Rot. Bonds6

About tris(2-chlorophenyl) phosphite

tris(2-chlorophenyl) phosphite (PubChem CID 625281) has the molecular formula C18H12Cl3O3P and a molecular weight of 413.62 g/mol. Its IUPAC name is tris(2-chlorophenyl) phosphite.

Molecular Properties

Compound Nametris(2-chlorophenyl) phosphite
PubChem CID625281
Molecular FormulaC18H12Cl3O3P
Molecular Weight413.62 g/mol
Exact Mass411.96
IUPAC Nametris(2-chlorophenyl) phosphite
SMILESClc1ccccc1OP(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C18H12Cl3O3P/c19-13-7-1-4-10-16(13)22-25(23-17-11-5-2-8-14(17)20)24-18-12-6-3-9-15(18)21/h1-12H
InChIKeyKXDRRFQARLPIBW-UHFFFAOYSA-N
XLogP7.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.62
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 582048
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CID 92304
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CID 99242
CID 99242
CID 21427
CID 21427
CID 204495
CID 204495
CID 5223209
CID 5223209
CID 2313173
CID 2313173
CID 77474
CID 77474
CID 69428
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CID 40785
CID 40785

Frequently Asked Questions

What is the IUPAC name of tris(2-chlorophenyl) phosphite?
The IUPAC name of tris(2-chlorophenyl) phosphite (CID 625281) is tris(2-chlorophenyl) phosphite.
What is the SMILES notation for tris(2-chlorophenyl) phosphite?
The canonical SMILES for tris(2-chlorophenyl) phosphite is Clc1ccccc1OP(Oc1ccccc1Cl)Oc1ccccc1Cl.
What is the InChIKey of tris(2-chlorophenyl) phosphite?
The InChIKey is KXDRRFQARLPIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3O3P/c19-13-7-1-4-10-16(13)22-25(23-17-11-5-2-8-14(17)20)24-18-12-6-3-9-15(18)21/h1-12H.
What are the key properties of tris(2-chlorophenyl) phosphite?
tris(2-chlorophenyl) phosphite has a molecular weight of 413.62 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-chlorophenyl) phosphite is sourced from PubChem (CID 625281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).