4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene

C16H17Cl — CID 50888148

IUPAC4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC(Cl)c2ccccc2)cc1C
InChIInChI=1S/C16H17Cl/c1-12-8-9-14(10-13(12)2)11-16(17)15-6-4-3-5-7-15/h3-10,16H,11H2,1-2H3
InChIKeyCFKQOKQNAQXOKH-UHFFFAOYSA-N
MW244.77 g/mol
LogP4.83
Rot. Bonds3

About 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene

4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene (PubChem CID 50888148) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
PubChem CID50888148
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
SMILESCc1ccc(CC(Cl)c2ccccc2)cc1C
InChIInChI=1S/C16H17Cl/c1-12-8-9-14(10-13(12)2)11-16(17)15-6-4-3-5-7-15/h3-10,16H,11H2,1-2H3
InChIKeyCFKQOKQNAQXOKH-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 55224820
3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]thiophene
CID 63520389
4-[2-chloro-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115482897
1-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029595
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182
6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431085
1-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81477618
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene
CID 107099889
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene (CID 50888148) is 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene is Cc1ccc(CC(Cl)c2ccccc2)cc1C.
What is the InChIKey of 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene?
The InChIKey is CFKQOKQNAQXOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-12-8-9-14(10-13(12)2)11-16(17)15-6-4-3-5-7-15/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene?
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene has a molecular weight of 244.77 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 50888148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).