CID 11984203

C19H18FeO+2 — CID 11984203

IUPAC—
SMILESO=C(CCc1ccccc1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H13O.C5H5.Fe/c15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12;1-2-4-5-3-1;/h1-9H,10-11H2;1-5H;/q;;+2
InChIKeyMLDDZYSLOZAPIR-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.61
Rot. Bonds4

About CID 11984203

CID 11984203 (PubChem CID 11984203) has the molecular formula C19H18FeO+2 and a molecular weight of 318.20 g/mol.

Molecular Properties

Compound NameCID 11984203
PubChem CID11984203
Molecular FormulaC19H18FeO+2
Molecular Weight318.20 g/mol
Exact Mass318.07
IUPAC Name—
SMILESO=C(CCc1ccccc1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H13O.C5H5.Fe/c15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12;1-2-4-5-3-1;/h1-9H,10-11H2;1-5H;/q;;+2
InChIKeyMLDDZYSLOZAPIR-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11984203?
The IUPAC name of CID 11984203 (CID 11984203) is not available.
What is the SMILES notation for CID 11984203?
The canonical SMILES for CID 11984203 is O=C(CCc1ccccc1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11984203?
The InChIKey is MLDDZYSLOZAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O.C5H5.Fe/c15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12;1-2-4-5-3-1;/h1-9H,10-11H2;1-5H;/q;;+2.
What are the key properties of CID 11984203?
CID 11984203 has a molecular weight of 318.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11984203 is sourced from PubChem (CID 11984203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).