iron;methylbenzene

C7H7Fe- — CID 134850166

IUPACiron;methylbenzene
SMILESCc1[c-]cccc1.[Fe]
InChIInChI=1S/C7H7.Fe/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;
InChIKeyIXJYWZJRJZYRBP-UHFFFAOYSA-N
MW146.98 g/mol
LogP1.79
Rot. Bonds

About iron;methylbenzene

iron;methylbenzene (PubChem CID 134850166) has the molecular formula C7H7Fe- and a molecular weight of 146.98 g/mol. Its IUPAC name is iron;methylbenzene.

Molecular Properties

Compound Nameiron;methylbenzene
PubChem CID134850166
Molecular FormulaC7H7Fe-
Molecular Weight146.98 g/mol
Exact Mass146.99
IUPAC Nameiron;methylbenzene
SMILESCc1[c-]cccc1.[Fe]
InChIInChI=1S/C7H7.Fe/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;
InChIKeyIXJYWZJRJZYRBP-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.98
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;methylbenzene?
The IUPAC name of iron;methylbenzene (CID 134850166) is iron;methylbenzene.
What is the SMILES notation for iron;methylbenzene?
The canonical SMILES for iron;methylbenzene is Cc1[c-]cccc1.[Fe].
What is the InChIKey of iron;methylbenzene?
The InChIKey is IXJYWZJRJZYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.Fe/c1-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;.
What are the key properties of iron;methylbenzene?
iron;methylbenzene has a molecular weight of 146.98 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;methylbenzene is sourced from PubChem (CID 134850166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).