1-methoxy-4-phenylbenzene-5-ide;palladium(2+)

C13H10OPd — CID 162399223

IUPAC1-methoxy-4-phenylbenzene-5-ide;palladium(2+)
SMILESCOc1c[c-]c(-c2[c-]cccc2)cc1.[Pd+2]
InChIInChI=1S/C13H10O.Pd/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-5,7,9-10H,1H3;/q-2;+2
InChIKeyRMLJGPFLCCWZLP-UHFFFAOYSA-N
MW288.64 g/mol
LogP2.96
Rot. Bonds2

About 1-methoxy-4-phenylbenzene-5-ide;palladium(2+)

1-methoxy-4-phenylbenzene-5-ide;palladium(2+) (PubChem CID 162399223) has the molecular formula C13H10OPd and a molecular weight of 288.64 g/mol. Its IUPAC name is 1-methoxy-4-phenylbenzene-5-ide;palladium(2+).

Molecular Properties

Compound Name1-methoxy-4-phenylbenzene-5-ide;palladium(2+)
PubChem CID162399223
Molecular FormulaC13H10OPd
Molecular Weight288.64 g/mol
Exact Mass287.98
IUPAC Name1-methoxy-4-phenylbenzene-5-ide;palladium(2+)
SMILESCOc1c[c-]c(-c2[c-]cccc2)cc1.[Pd+2]
InChIInChI=1S/C13H10O.Pd/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-5,7,9-10H,1H3;/q-2;+2
InChIKeyRMLJGPFLCCWZLP-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.64
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethoxyindeno[2,1-a]indene
CID 101572864
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
2,7-Dimethoxybiphenylene
CID 11287311
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
7,7a-Dihydrobenzofuran
CID 19744327
Fluoreno[1,2-b]pyran
CID 22497284
Cyclopentabenzofuran
CID 87131369
Cyclopentachromene
CID 87622378
Indenobenzofuran
CID 88598125
Cyclopenta-[g]-benzo pyrane
CID 89428281
Indeno[5,6-b]furan
CID 129845500
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-phenylbenzene-5-ide;palladium(2+)?
The IUPAC name of 1-methoxy-4-phenylbenzene-5-ide;palladium(2+) (CID 162399223) is 1-methoxy-4-phenylbenzene-5-ide;palladium(2+).
What is the SMILES notation for 1-methoxy-4-phenylbenzene-5-ide;palladium(2+)?
The canonical SMILES for 1-methoxy-4-phenylbenzene-5-ide;palladium(2+) is COc1c[c-]c(-c2[c-]cccc2)cc1.[Pd+2].
What is the InChIKey of 1-methoxy-4-phenylbenzene-5-ide;palladium(2+)?
The InChIKey is RMLJGPFLCCWZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.Pd/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-5,7,9-10H,1H3;/q-2;+2.
What are the key properties of 1-methoxy-4-phenylbenzene-5-ide;palladium(2+)?
1-methoxy-4-phenylbenzene-5-ide;palladium(2+) has a molecular weight of 288.64 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-phenylbenzene-5-ide;palladium(2+) is sourced from PubChem (CID 162399223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).