2H-chromene;iron;methane

C10H12FeO — CID 87751507

IUPAC2H-chromene;iron;methane
SMILESC.C1=Cc2ccccc2OC1.[Fe]
InChIInChI=1S/C9H8O.CH4.Fe/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-6H,7H2;1H4;
InChIKeyWTHFITLXHALKIM-UHFFFAOYSA-N
MW204.05 g/mol
LogP2.73
Rot. Bonds

About 2H-chromene;iron;methane

2H-chromene;iron;methane (PubChem CID 87751507) has the molecular formula C10H12FeO and a molecular weight of 204.05 g/mol. Its IUPAC name is 2H-chromene;iron;methane.

Molecular Properties

Compound Name2H-chromene;iron;methane
PubChem CID87751507
Molecular FormulaC10H12FeO
Molecular Weight204.05 g/mol
Exact Mass204.02
IUPAC Name2H-chromene;iron;methane
SMILESC.C1=Cc2ccccc2OC1.[Fe]
InChIInChI=1S/C9H8O.CH4.Fe/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-6H,7H2;1H4;
InChIKeyWTHFITLXHALKIM-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;iron;methane?
The IUPAC name of 2H-chromene;iron;methane (CID 87751507) is 2H-chromene;iron;methane.
What is the SMILES notation for 2H-chromene;iron;methane?
The canonical SMILES for 2H-chromene;iron;methane is C.C1=Cc2ccccc2OC1.[Fe].
What is the InChIKey of 2H-chromene;iron;methane?
The InChIKey is WTHFITLXHALKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.CH4.Fe/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-6H,7H2;1H4;.
What are the key properties of 2H-chromene;iron;methane?
2H-chromene;iron;methane has a molecular weight of 204.05 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;iron;methane is sourced from PubChem (CID 87751507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).