CID 11254434

C16H14FeO+2 — CID 11254434

IUPAC—
SMILESOc1ccc([C]2[CH][CH][CH][CH]2)cc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H9O.C5H5.Fe/c12-11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,12H;1-5H;/q;;+2
InChIKeyIDDGOAIHLOFOOX-UHFFFAOYSA-N
MW278.13 g/mol
LogP3.16
Rot. Bonds1

About CID 11254434

CID 11254434 (PubChem CID 11254434) has the molecular formula C16H14FeO+2 and a molecular weight of 278.13 g/mol.

Molecular Properties

Compound NameCID 11254434
PubChem CID11254434
Molecular FormulaC16H14FeO+2
Molecular Weight278.13 g/mol
Exact Mass278.04
IUPAC Name—
SMILESOc1ccc([C]2[CH][CH][CH][CH]2)cc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H9O.C5H5.Fe/c12-11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,12H;1-5H;/q;;+2
InChIKeyIDDGOAIHLOFOOX-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
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 CID 11254434?
The IUPAC name of CID 11254434 (CID 11254434) is not available.
What is the SMILES notation for CID 11254434?
The canonical SMILES for CID 11254434 is Oc1ccc([C]2[CH][CH][CH][CH]2)cc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11254434?
The InChIKey is IDDGOAIHLOFOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O.C5H5.Fe/c12-11-7-5-10(6-8-11)9-3-1-2-4-9;1-2-4-5-3-1;/h1-8,12H;1-5H;/q;;+2.
What are the key properties of CID 11254434?
CID 11254434 has a molecular weight of 278.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11254434 is sourced from PubChem (CID 11254434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).