2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium

C20H15OZr- — CID 160925897

IUPAC2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium
SMILESCc1ccc2[cH-]c(-c3ccco3)cc2c1-c1ccccc1.[Zr]
InChIInChI=1S/C20H15O.Zr/c1-14-9-10-16-12-17(19-8-5-11-21-19)13-18(16)20(14)15-6-3-2-4-7-15;/h2-13H,1H3;/q-1;
InChIKeyODYIVAWUFNCOHU-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.79
Rot. Bonds2

About 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium

2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium (PubChem CID 160925897) has the molecular formula C20H15OZr- and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium.

Molecular Properties

Compound Name2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium
PubChem CID160925897
Molecular FormulaC20H15OZr-
Molecular Weight362.56 g/mol
Exact Mass361.02
IUPAC Name2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium
SMILESCc1ccc2[cH-]c(-c3ccco3)cc2c1-c1ccccc1.[Zr]
InChIInChI=1S/C20H15O.Zr/c1-14-9-10-16-12-17(19-8-5-11-21-19)13-18(16)20(14)15-6-3-2-4-7-15;/h2-13H,1H3;/q-1;
InChIKeyODYIVAWUFNCOHU-UHFFFAOYSA-N
XLogP5.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium?
The IUPAC name of 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium (CID 160925897) is 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium.
What is the SMILES notation for 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium?
The canonical SMILES for 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium is Cc1ccc2[cH-]c(-c3ccco3)cc2c1-c1ccccc1.[Zr].
What is the InChIKey of 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium?
The InChIKey is ODYIVAWUFNCOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15O.Zr/c1-14-9-10-16-12-17(19-8-5-11-21-19)13-18(16)20(14)15-6-3-2-4-7-15;/h2-13H,1H3;/q-1;.
What are the key properties of 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium?
2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium has a molecular weight of 362.56 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-phenyl-1H-inden-1-id-2-yl)furan;zirconium is sourced from PubChem (CID 160925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).