1-chloro-4-methylbenzene;zinc

C7H7ClZn — CID 174694335

IUPAC1-chloro-4-methylbenzene;zinc
SMILESCc1ccc(Cl)cc1.[Zn]
InChIInChI=1S/C7H7Cl.Zn/c1-6-2-4-7(8)5-3-6;/h2-5H,1H3;
InChIKeyBMOKWFHZRLYKJZ-UHFFFAOYSA-N
MW191.98 g/mol
LogP2.65
Rot. Bonds

About 1-chloro-4-methylbenzene;zinc

1-chloro-4-methylbenzene;zinc (PubChem CID 174694335) has the molecular formula C7H7ClZn and a molecular weight of 191.98 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;zinc.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;zinc
PubChem CID174694335
Molecular FormulaC7H7ClZn
Molecular Weight191.98 g/mol
Exact Mass189.95
IUPAC Name1-chloro-4-methylbenzene;zinc
SMILESCc1ccc(Cl)cc1.[Zn]
InChIInChI=1S/C7H7Cl.Zn/c1-6-2-4-7(8)5-3-6;/h2-5H,1H3;
InChIKeyBMOKWFHZRLYKJZ-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 11986165
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1-chloro-4-methylbenzene;pentane
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CID 87101615
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CID 145316184
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CID 23597856
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;zinc?
The IUPAC name of 1-chloro-4-methylbenzene;zinc (CID 174694335) is 1-chloro-4-methylbenzene;zinc.
What is the SMILES notation for 1-chloro-4-methylbenzene;zinc?
The canonical SMILES for 1-chloro-4-methylbenzene;zinc is Cc1ccc(Cl)cc1.[Zn].
What is the InChIKey of 1-chloro-4-methylbenzene;zinc?
The InChIKey is BMOKWFHZRLYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.Zn/c1-6-2-4-7(8)5-3-6;/h2-5H,1H3;.
What are the key properties of 1-chloro-4-methylbenzene;zinc?
1-chloro-4-methylbenzene;zinc has a molecular weight of 191.98 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene;zinc is sourced from PubChem (CID 174694335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).