6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)

C20H15ClFeO2 — CID 159612935

IUPAC6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)
SMILESCc1cc2c(cc1Cl)C([O-])=CC(=C1C=CC=C1)O2.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C15H11ClO2.C5H5.Fe/c1-9-6-15-11(7-12(9)16)13(17)8-14(18-15)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8,17H,1H3;1-5H;/q;-1;+2/p-1
InChIKeyOKPXVRNGDSPJQH-UHFFFAOYSA-M
MW378.64 g/mol
LogP4.53
Rot. Bonds

About 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)

6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+) (PubChem CID 159612935) has the molecular formula C20H15ClFeO2 and a molecular weight of 378.64 g/mol. Its IUPAC name is 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)
PubChem CID159612935
Molecular FormulaC20H15ClFeO2
Molecular Weight378.64 g/mol
Exact Mass378.01
IUPAC Name6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)
SMILESCc1cc2c(cc1Cl)C([O-])=CC(=C1C=CC=C1)O2.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C15H11ClO2.C5H5.Fe/c1-9-6-15-11(7-12(9)16)13(17)8-14(18-15)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8,17H,1H3;1-5H;/q;-1;+2/p-1
InChIKeyOKPXVRNGDSPJQH-UHFFFAOYSA-M
XLogP4.53
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 54.53
H-Bond Donors ≤ 50
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 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+) with MolForge

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Related Compounds

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CID 140368512
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+) (CID 159612935) is 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+) is Cc1cc2c(cc1Cl)C([O-])=CC(=C1C=CC=C1)O2.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is OKPXVRNGDSPJQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClO2.C5H5.Fe/c1-9-6-15-11(7-12(9)16)13(17)8-14(18-15)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8,17H,1H3;1-5H;/q;-1;+2/p-1.
What are the key properties of 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+)?
6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 378.64 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopenta-2,4-dien-1-ylidene-7-methylchromen-4-olate;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 159612935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).