2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene

C17H19Cl — CID 63433987

IUPAC2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Cl)Cc2ccccc2C)c1
InChIInChI=1S/C17H19Cl/c1-12-8-9-14(3)16(10-12)17(18)11-15-7-5-4-6-13(15)2/h4-10,17H,11H2,1-3H3
InChIKeyASRKMRAKAXGUOM-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.13
Rot. Bonds3

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

2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene (PubChem CID 63433987) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
PubChem CID63433987
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Cl)Cc2ccccc2C)c1
InChIInChI=1S/C17H19Cl/c1-12-8-9-14(3)16(10-12)17(18)11-15-7-5-4-6-13(15)2/h4-10,17H,11H2,1-3H3
InChIKeyASRKMRAKAXGUOM-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.13
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

2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
CID 55224259
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-fluoro-1,3-dimethylbenzene
CID 106879668
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,3-difluorobenzene
CID 63544773
2-[2-chloro-2-(2,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461340
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
CID 66040940

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene (CID 63433987) is 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene is Cc1ccc(C)c(C(Cl)Cc2ccccc2C)c1.
What is the InChIKey of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene?
The InChIKey is ASRKMRAKAXGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c1-12-8-9-14(3)16(10-12)17(18)11-15-7-5-4-6-13(15)2/h4-10,17H,11H2,1-3H3.
What are the key properties of 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene?
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene has a molecular weight of 258.79 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene is sourced from PubChem (CID 63433987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).