(4-methylphenyl)methylidenezirconium(2+)

C8H8Zr+2 — CID 87122877

IUPAC(4-methylphenyl)methylidenezirconium(2+)
SMILESCc1ccc(C=[Zr+2])cc1
InChIInChI=1S/C8H8.Zr/c1-7-3-5-8(2)6-4-7;/h1,3-6H,2H3;/q;+2
InChIKeyOHJFQKVPPBGCGU-UHFFFAOYSA-N
MW195.38 g/mol
LogP1.69
Rot. Bonds1

About (4-methylphenyl)methylidenezirconium(2+)

(4-methylphenyl)methylidenezirconium(2+) (PubChem CID 87122877) has the molecular formula C8H8Zr+2 and a molecular weight of 195.38 g/mol. Its IUPAC name is (4-methylphenyl)methylidenezirconium(2+).

Molecular Properties

Compound Name(4-methylphenyl)methylidenezirconium(2+)
PubChem CID87122877
Molecular FormulaC8H8Zr+2
Molecular Weight195.38 g/mol
Exact Mass193.97
IUPAC Name(4-methylphenyl)methylidenezirconium(2+)
SMILESCc1ccc(C=[Zr+2])cc1
InChIInChI=1S/C8H8.Zr/c1-7-3-5-8(2)6-4-7;/h1,3-6H,2H3;/q;+2
InChIKeyOHJFQKVPPBGCGU-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
1,4-bis[3-(4-methylphenyl)propa-1,2-dienyl]benzene
CID 10592855
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
1-ethenyl-4-methylbenzene;methanamine
CID 23466173

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methylidenezirconium(2+)?
The IUPAC name of (4-methylphenyl)methylidenezirconium(2+) (CID 87122877) is (4-methylphenyl)methylidenezirconium(2+).
What is the SMILES notation for (4-methylphenyl)methylidenezirconium(2+)?
The canonical SMILES for (4-methylphenyl)methylidenezirconium(2+) is Cc1ccc(C=[Zr+2])cc1.
What is the InChIKey of (4-methylphenyl)methylidenezirconium(2+)?
The InChIKey is OHJFQKVPPBGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.Zr/c1-7-3-5-8(2)6-4-7;/h1,3-6H,2H3;/q;+2.
What are the key properties of (4-methylphenyl)methylidenezirconium(2+)?
(4-methylphenyl)methylidenezirconium(2+) has a molecular weight of 195.38 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methylidenezirconium(2+) is sourced from PubChem (CID 87122877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).