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

C14H12ClF — CID 66253733

IUPAC1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
SMILESCc1cc(F)ccc1-c1c(C)cccc1Cl
InChIInChI=1S/C14H12ClF/c1-9-4-3-5-13(15)14(9)12-7-6-11(16)8-10(12)2/h3-8H,1-2H3
InChIKeyKOOQJGYCQLSJEP-UHFFFAOYSA-N
MW234.70 g/mol
LogP4.76
Rot. Bonds1

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

1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene (PubChem CID 66253733) has the molecular formula C14H12ClF and a molecular weight of 234.70 g/mol. Its IUPAC name is 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
PubChem CID66253733
Molecular FormulaC14H12ClF
Molecular Weight234.70 g/mol
Exact Mass234.06
IUPAC Name1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
SMILESCc1cc(F)ccc1-c1c(C)cccc1Cl
InChIInChI=1S/C14H12ClF/c1-9-4-3-5-13(15)14(9)12-7-6-11(16)8-10(12)2/h3-8H,1-2H3
InChIKeyKOOQJGYCQLSJEP-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

Analyze 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene?
The IUPAC name of 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene (CID 66253733) is 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene?
The canonical SMILES for 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene is Cc1cc(F)ccc1-c1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene?
The InChIKey is KOOQJGYCQLSJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF/c1-9-4-3-5-13(15)14(9)12-7-6-11(16)8-10(12)2/h3-8H,1-2H3.
What are the key properties of 1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene?
1-chloro-2-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-3-methylbenzene is sourced from PubChem (CID 66253733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).