1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene

C₁₄H₁₂ClF — CID 66251614

About 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene

1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene (PubChem CID 66251614) has the molecular formula C₁₄H₁₂ClF and a molecular weight of 234.70 g/mol. Its IUPAC name is 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene.

Molecular Properties

• Compound Name: 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
• PubChem CID: 66251614
• Molecular Formula: C₁₄H₁₂ClF
• Molecular Weight: 234.70 g/mol
• Exact Mass: 234.06
• IUPAC Name: 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
• SMILES: Cc1ccc(-c2c(C)cccc2Cl)c(F)c1
• InChI: InChI=1S/C14H12ClF/c1-9-6-7-11(13(16)8-9)14-10(2)4-3-5-12(14)15/h3-8H,1-2H3
• InChIKey: LYQVNJDWDNNRNN-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.70
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene?

The IUPAC name of 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene (CID 66251614) is 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene.

What is the SMILES notation for 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene?

The canonical SMILES for 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene is Cc1ccc(-c2c(C)cccc2Cl)c(F)c1.

What is the InChIKey of 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene?

The InChIKey is LYQVNJDWDNNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF/c1-9-6-7-11(13(16)8-9)14-10(2)4-3-5-12(14)15/h3-8H,1-2H3.

What are the key properties of 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene?

1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene has a molecular weight of 234.70 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene is sourced from PubChem (CID 66251614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66251614 — identifiers, structure, computed properties (public domain)

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