2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron

C14H18FeO2-6 — CID 174962215

IUPAC2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron
SMILESOCC[c-]1[cH-][cH-][cH-][cH-]1.OCC[c-]1cccc1.[Fe]
InChIInChI=1S/2C7H9O.Fe/c2*8-6-5-7-3-1-2-4-7;/h2*1-4,8H,5-6H2;/q-5;-1;
InChIKeyOKACHDZSNVVCLH-UHFFFAOYSA-N
MW274.14 g/mol
LogP1.88
Rot. Bonds4

About 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron

2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron (PubChem CID 174962215) has the molecular formula C14H18FeO2-6 and a molecular weight of 274.14 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron
PubChem CID174962215
Molecular FormulaC14H18FeO2-6
Molecular Weight274.14 g/mol
Exact Mass274.07
IUPAC Name2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron
SMILESOCC[c-]1[cH-][cH-][cH-][cH-]1.OCC[c-]1cccc1.[Fe]
InChIInChI=1S/2C7H9O.Fe/c2*8-6-5-7-3-1-2-4-7;/h2*1-4,8H,5-6H2;/q-5;-1;
InChIKeyOKACHDZSNVVCLH-UHFFFAOYSA-N
XLogP1.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron (CID 174962215) is 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron is OCC[c-]1[cH-][cH-][cH-][cH-]1.OCC[c-]1cccc1.[Fe].
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron?
The InChIKey is OKACHDZSNVVCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9O.Fe/c2*8-6-5-7-3-1-2-4-7;/h2*1-4,8H,5-6H2;/q-5;-1;.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron?
2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron has a molecular weight of 274.14 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron is sourced from PubChem (CID 174962215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).