carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene

C14H12FeO3+4 — CID 172991182

IUPACcarbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene
SMILESCOc1cc[c-]cc1.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H7O.C5H5.2CO.Fe/c1-8-7-5-3-2-4-6-7;1-2-4-5-3-1;2*1-2;/h3-6H,1H3;1-5H;;;/q2*-1;;;+6
InChIKeyUEFPJJHWAQEXDL-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.82
Rot. Bonds1

About carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene

carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene (PubChem CID 172991182) has the molecular formula C14H12FeO3+4 and a molecular weight of 284.09 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene
PubChem CID172991182
Molecular FormulaC14H12FeO3+4
Molecular Weight284.09 g/mol
Exact Mass284.01
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene
SMILESCOc1cc[c-]cc1.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1
InChIInChI=1S/C7H7O.C5H5.2CO.Fe/c1-8-7-5-3-2-4-6-7;1-2-4-5-3-1;2*1-2;/h3-6H,1H3;1-5H;;;/q2*-1;;;+6
InChIKeyUEFPJJHWAQEXDL-UHFFFAOYSA-N
XLogP2.82
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methoxybenzene;phenyl acetate;tungsten(2+)
CID 158968313
bis(cyclopenta-1,3-diene);methoxybenzene;titanium(4+)
CID 23365963
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CID 154428676
Iron, dicarbonyl-pi-cyclopentadienyl(trimethylsilyl)-
CID 11986650
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CID 160503469

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene (CID 172991182) is carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene is COc1cc[c-]cc1.[C-]#[O+].[C-]#[O+].[Fe+6].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene?
The InChIKey is UEFPJJHWAQEXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.C5H5.2CO.Fe/c1-8-7-5-3-2-4-6-7;1-2-4-5-3-1;2*1-2;/h3-6H,1H3;1-5H;;;/q2*-1;;;+6.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene?
carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene has a molecular weight of 284.09 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;iron(6+);methoxybenzene is sourced from PubChem (CID 172991182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).