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

C14H12ClF — CID 66251614

IUPAC1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
SMILESCc1ccc(-c2c(C)cccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClF/c1-9-6-7-11(13(16)8-9)14-10(2)4-3-5-12(14)15/h3-8H,1-2H3
InChIKeyLYQVNJDWDNNRNN-UHFFFAOYSA-N
MW234.70 g/mol
LogP4.76
Rot. Bonds1

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 Name1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
PubChem CID66251614
Molecular FormulaC14H12ClF
Molecular Weight234.70 g/mol
Exact Mass234.06
IUPAC Name1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
SMILESCc1ccc(-c2c(C)cccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClF/c1-9-6-7-11(13(16)8-9)14-10(2)4-3-5-12(14)15/h3-8H,1-2H3
InChIKeyLYQVNJDWDNNRNN-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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).