chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone

C11H13ClO4Pd — CID 10904262

IUPACchloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone
SMILESCOc1[c-]c(C(C)=O)cc(OC)c1OC.Cl[Pd+]
InChIInChI=1S/C11H13O4.ClH.Pd/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3;;/h5H,1-4H3;1H;/q-1;;+2/p-1
InChIKeyFRYGSIZBDBWYPI-UHFFFAOYSA-M
MW351.09 g/mol
LogP2.40
Rot. Bonds4

About chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone

chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone (PubChem CID 10904262) has the molecular formula C11H13ClO4Pd and a molecular weight of 351.09 g/mol. Its IUPAC name is chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone.

Molecular Properties

Compound Namechloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone
PubChem CID10904262
Molecular FormulaC11H13ClO4Pd
Molecular Weight351.09 g/mol
Exact Mass349.95
IUPAC Namechloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone
SMILESCOc1[c-]c(C(C)=O)cc(OC)c1OC.Cl[Pd+]
InChIInChI=1S/C11H13O4.ClH.Pd/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3;;/h5H,1-4H3;1H;/q-1;;+2/p-1
InChIKeyFRYGSIZBDBWYPI-UHFFFAOYSA-M
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.09
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone?
The IUPAC name of chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone (CID 10904262) is chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone.
What is the SMILES notation for chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone?
The canonical SMILES for chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone is COc1[c-]c(C(C)=O)cc(OC)c1OC.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone?
The InChIKey is FRYGSIZBDBWYPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13O4.ClH.Pd/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3;;/h5H,1-4H3;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone?
chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone has a molecular weight of 351.09 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);1-(3,4,5-trimethoxybenzene-6-id-1-yl)ethanone is sourced from PubChem (CID 10904262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).