2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene

C14H12ClF — CID 129059245

IUPAC2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1-c1cc(Cl)ccc1C
InChIInChI=1S/C14H12ClF/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChIKeyGDZYGWXBSTWHIE-UHFFFAOYSA-N
MW234.70 g/mol
LogP4.76
Rot. Bonds1

About 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene

2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene (PubChem CID 129059245) has the molecular formula C14H12ClF and a molecular weight of 234.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
PubChem CID129059245
Molecular FormulaC14H12ClF
Molecular Weight234.70 g/mol
Exact Mass234.06
IUPAC Name2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1-c1cc(Cl)ccc1C
InChIInChI=1S/C14H12ClF/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3
InChIKeyGDZYGWXBSTWHIE-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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Related Compounds

1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
1-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508
4-chloro-2-fluoro-1-methylbenzene;4-fluoro-1,2-dimethylbenzene
CID 143759785
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one
CID 141334267
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 134629680

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene (CID 129059245) is 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene is Cc1ccc(F)cc1-c1cc(Cl)ccc1C.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene?
The InChIKey is GDZYGWXBSTWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF/c1-9-3-5-11(15)7-13(9)14-8-12(16)6-4-10(14)2/h3-8H,1-2H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene?
2-(5-chloro-2-methylphenyl)-4-fluoro-1-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 2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene is sourced from PubChem (CID 129059245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).