bis(cyclopenta-1,3-diene);iron(2+);phenol

C16H16FeO — CID 173093815

IUPACbis(cyclopenta-1,3-diene);iron(2+);phenol
SMILESOc1ccccc1.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C6H6O.2C5H5.Fe/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5,7H;2*1-5H;/q;2*-1;+2
InChIKeyNLXIHBLTFXVHJE-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.20
Rot. Bonds

About bis(cyclopenta-1,3-diene);iron(2+);phenol

bis(cyclopenta-1,3-diene);iron(2+);phenol (PubChem CID 173093815) has the molecular formula C16H16FeO and a molecular weight of 280.15 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);iron(2+);phenol.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);iron(2+);phenol
PubChem CID173093815
Molecular FormulaC16H16FeO
Molecular Weight280.15 g/mol
Exact Mass280.06
IUPAC Namebis(cyclopenta-1,3-diene);iron(2+);phenol
SMILESOc1ccccc1.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C6H6O.2C5H5.Fe/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5,7H;2*1-5H;/q;2*-1;+2
InChIKeyNLXIHBLTFXVHJE-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopenta-1,3-diene;dichlorotitanium;phenol
CID 175353049
bis(cyclopenta-1,3-diene);diphenylphosphane;iron(2+)
CID 172843906
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
CID 67496590
CID 67496590
phenol;phosphane
CID 159689182
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
CID 161001247
CID 161001247

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);iron(2+);phenol?
The IUPAC name of bis(cyclopenta-1,3-diene);iron(2+);phenol (CID 173093815) is bis(cyclopenta-1,3-diene);iron(2+);phenol.
What is the SMILES notation for bis(cyclopenta-1,3-diene);iron(2+);phenol?
The canonical SMILES for bis(cyclopenta-1,3-diene);iron(2+);phenol is Oc1ccccc1.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);iron(2+);phenol?
The InChIKey is NLXIHBLTFXVHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2C5H5.Fe/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h1-5,7H;2*1-5H;/q;2*-1;+2.
What are the key properties of bis(cyclopenta-1,3-diene);iron(2+);phenol?
bis(cyclopenta-1,3-diene);iron(2+);phenol has a molecular weight of 280.15 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);iron(2+);phenol is sourced from PubChem (CID 173093815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).