cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)

C19H16FeO2 — CID 175772893

IUPACcyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)
SMILESC=Cc1ccc(OC([O-])=C2C=CC=C2)cc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H12O2.C5H5.Fe/c1-2-11-7-9-13(10-8-11)16-14(15)12-5-3-4-6-12;1-2-4-5-3-1;/h2-10,15H,1H2;1-5H;/q;-1;+2/p-1
InChIKeySEMFVALXHZPYFL-UHFFFAOYSA-M
MW332.18 g/mol
LogP3.81
Rot. Bonds3

About cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+) (PubChem CID 175772893) has the molecular formula C19H16FeO2 and a molecular weight of 332.18 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)
PubChem CID175772893
Molecular FormulaC19H16FeO2
Molecular Weight332.18 g/mol
Exact Mass332.05
IUPAC Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)
SMILESC=Cc1ccc(OC([O-])=C2C=CC=C2)cc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H12O2.C5H5.Fe/c1-2-11-7-9-13(10-8-11)16-14(15)12-5-3-4-6-12;1-2-4-5-3-1;/h2-10,15H,1H2;1-5H;/q;-1;+2/p-1
InChIKeySEMFVALXHZPYFL-UHFFFAOYSA-M
XLogP3.81
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(1-prop-2-enoyloxyethoxy)methanolate;iron(2+)
CID 175703716
cyclopenta-1,3-diene;2-ethenylcyclopenta-1,3-diene;iron
CID 25200006
cyclopenta-1,3-diene;cyclopentane;iron;styrene
CID 173066360
(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
bis(cyclopenta-1,3-diene);bis(3-ethenylphenol);zirconium(2+)
CID 141004855
(4-ethenylphenyl) 2-oxopropanoate
CID 67863949
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
(Z)-4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934916
4-(4-ethenylphenoxy)-4-oxobut-2-enoic acid
CID 68934918
(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate
CID 140648641
chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
CID 167440879

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+) (CID 175772893) is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+) is C=Cc1ccc(OC([O-])=C2C=CC=C2)cc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)?
The InChIKey is SEMFVALXHZPYFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O2.C5H5.Fe/c1-2-11-7-9-13(10-8-11)16-14(15)12-5-3-4-6-12;1-2-4-5-3-1;/h2-10,15H,1H2;1-5H;/q;-1;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+)?
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+) has a molecular weight of 332.18 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(4-ethenylphenoxy)methanolate;iron(2+) is sourced from PubChem (CID 175772893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).