dichlororuthenium;tris(4-methoxyphenyl)phosphane

C21H21Cl2O3PRu — CID 134991883

IUPACdichlororuthenium;tris(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cl[Ru]Cl
InChIInChI=1S/C21H21O3P.2ClH.Ru/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;;;/h4-15H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyYMJZKMIBDMLTCD-UHFFFAOYSA-L
MW524.35 g/mol
LogP4.85
Rot. Bonds6

About dichlororuthenium;tris(4-methoxyphenyl)phosphane

dichlororuthenium;tris(4-methoxyphenyl)phosphane (PubChem CID 134991883) has the molecular formula C21H21Cl2O3PRu and a molecular weight of 524.35 g/mol. Its IUPAC name is dichlororuthenium;tris(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Namedichlororuthenium;tris(4-methoxyphenyl)phosphane
PubChem CID134991883
Molecular FormulaC21H21Cl2O3PRu
Molecular Weight524.35 g/mol
Exact Mass523.96
IUPAC Namedichlororuthenium;tris(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cl[Ru]Cl
InChIInChI=1S/C21H21O3P.2ClH.Ru/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;;;/h4-15H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyYMJZKMIBDMLTCD-UHFFFAOYSA-L
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.35
LogP ≤ 54.85
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 dichlororuthenium;tris(4-methoxyphenyl)phosphane?
The IUPAC name of dichlororuthenium;tris(4-methoxyphenyl)phosphane (CID 134991883) is dichlororuthenium;tris(4-methoxyphenyl)phosphane.
What is the SMILES notation for dichlororuthenium;tris(4-methoxyphenyl)phosphane?
The canonical SMILES for dichlororuthenium;tris(4-methoxyphenyl)phosphane is COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;tris(4-methoxyphenyl)phosphane?
The InChIKey is YMJZKMIBDMLTCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21O3P.2ClH.Ru/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;;;/h4-15H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlororuthenium;tris(4-methoxyphenyl)phosphane?
dichlororuthenium;tris(4-methoxyphenyl)phosphane has a molecular weight of 524.35 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tris(4-methoxyphenyl)phosphane is sourced from PubChem (CID 134991883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).