[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)

C14H11ClZr+2 — CID 87101615

IUPAC[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
SMILESCc1ccc(C(=[Zr+2])c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11Cl.Zr/c1-11-2-4-12(5-3-11)10-13-6-8-14(15)9-7-13;/h2-9H,1H3;/q;+2
InChIKeyYIRSRRMNKVHXIO-UHFFFAOYSA-N
MW305.92 g/mol
LogP3.76
Rot. Bonds2

About [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)

[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+) (PubChem CID 87101615) has the molecular formula C14H11ClZr+2 and a molecular weight of 305.92 g/mol. Its IUPAC name is [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+).

Molecular Properties

Compound Name[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
PubChem CID87101615
Molecular FormulaC14H11ClZr+2
Molecular Weight305.92 g/mol
Exact Mass303.96
IUPAC Name[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
SMILESCc1ccc(C(=[Zr+2])c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11Cl.Zr/c1-11-2-4-12(5-3-11)10-13-6-8-14(15)9-7-13;/h2-9H,1H3;/q;+2
InChIKeyYIRSRRMNKVHXIO-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.92
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)
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1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
1-chloro-4-methylbenzene;pentane
CID 142041532
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
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1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
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Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)?
The IUPAC name of [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+) (CID 87101615) is [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+).
What is the SMILES notation for [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)?
The canonical SMILES for [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+) is Cc1ccc(C(=[Zr+2])c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)?
The InChIKey is YIRSRRMNKVHXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl.Zr/c1-11-2-4-12(5-3-11)10-13-6-8-14(15)9-7-13;/h2-9H,1H3;/q;+2.
What are the key properties of [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)?
[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+) has a molecular weight of 305.92 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+) is sourced from PubChem (CID 87101615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).