4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene

C16H17Cl — CID 11687395

IUPAC4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(C)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H17Cl/c1-11-4-5-15(10-12(11)2)13(3)14-6-8-16(17)9-7-14/h4-10,13H,1-3H3
InChIKeyIXKGQEVZDWFOBM-UHFFFAOYSA-N
MW244.76 g/mol
LogP5.11
Rot. Bonds2

About 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene

4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene (PubChem CID 11687395) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
PubChem CID11687395
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(C(C)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H17Cl/c1-11-4-5-15(10-12(11)2)13(3)14-6-8-16(17)9-7-14/h4-10,13H,1-3H3
InChIKeyIXKGQEVZDWFOBM-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.76
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene (CID 11687395) is 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene is Cc1ccc(C(C)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
The InChIKey is IXKGQEVZDWFOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-11-4-5-15(10-12(11)2)13(3)14-6-8-16(17)9-7-14/h4-10,13H,1-3H3.
What are the key properties of 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene?
4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene has a molecular weight of 244.76 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 11687395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).