tris((2-methoxyphenyl)phosphane);palladium

C21H27O3P3Pd — CID 174983506

IUPACtris((2-methoxyphenyl)phosphane);palladium
SMILESCOc1ccccc1P.COc1ccccc1P.COc1ccccc1P.[Pd]
InChIInChI=1S/3C7H9OP.Pd/c3*1-8-6-4-2-3-5-7(6)9;/h3*2-5H,9H2,1H3;
InChIKeyNBJHIIRAHRQVJA-UHFFFAOYSA-N
MW526.79 g/mol
LogP3.58
Rot. Bonds3

About tris((2-methoxyphenyl)phosphane);palladium

tris((2-methoxyphenyl)phosphane);palladium (PubChem CID 174983506) has the molecular formula C21H27O3P3Pd and a molecular weight of 526.79 g/mol. Its IUPAC name is tris((2-methoxyphenyl)phosphane);palladium.

Molecular Properties

Compound Nametris((2-methoxyphenyl)phosphane);palladium
PubChem CID174983506
Molecular FormulaC21H27O3P3Pd
Molecular Weight526.79 g/mol
Exact Mass526.02
IUPAC Nametris((2-methoxyphenyl)phosphane);palladium
SMILESCOc1ccccc1P.COc1ccccc1P.COc1ccccc1P.[Pd]
InChIInChI=1S/3C7H9OP.Pd/c3*1-8-6-4-2-3-5-7(6)9;/h3*2-5H,9H2,1H3;
InChIKeyNBJHIIRAHRQVJA-UHFFFAOYSA-N
XLogP3.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.79
LogP ≤ 53.58
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

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
[2-(2,6-dimethoxyphenyl)-6-phosphanylphenyl]phosphane
CID 141349618
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497
tris(2-methoxyphenyl)alumane
CID 86051473
3-methoxy-2-phosphanylphenol
CID 163752640
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
azane;2-methoxyphenol
CID 172717837
1-chloro-2-methoxybenzene
CID 13011
bis(2-methoxyphenyl)diazene
CID 11947
cesium 2-methoxyphenolate
CID 23674354

Frequently Asked Questions

What is the IUPAC name of tris((2-methoxyphenyl)phosphane);palladium?
The IUPAC name of tris((2-methoxyphenyl)phosphane);palladium (CID 174983506) is tris((2-methoxyphenyl)phosphane);palladium.
What is the SMILES notation for tris((2-methoxyphenyl)phosphane);palladium?
The canonical SMILES for tris((2-methoxyphenyl)phosphane);palladium is COc1ccccc1P.COc1ccccc1P.COc1ccccc1P.[Pd].
What is the InChIKey of tris((2-methoxyphenyl)phosphane);palladium?
The InChIKey is NBJHIIRAHRQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9OP.Pd/c3*1-8-6-4-2-3-5-7(6)9;/h3*2-5H,9H2,1H3;.
What are the key properties of tris((2-methoxyphenyl)phosphane);palladium?
tris((2-methoxyphenyl)phosphane);palladium has a molecular weight of 526.79 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris((2-methoxyphenyl)phosphane);palladium is sourced from PubChem (CID 174983506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).