1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene

C17H18Cl2 — CID 107099889

IUPAC1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene
SMILESCc1ccc(CC(Cl)c2cccc(Cl)c2C)cc1C
InChIInChI=1S/C17H18Cl2/c1-11-7-8-14(9-12(11)2)10-17(19)15-5-4-6-16(18)13(15)3/h4-9,17H,10H2,1-3H3
InChIKeyUDOSOENDIJALGT-UHFFFAOYSA-N
MW293.24 g/mol
LogP5.79
Rot. Bonds3

About 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene

1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene (PubChem CID 107099889) has the molecular formula C17H18Cl2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene
PubChem CID107099889
Molecular FormulaC17H18Cl2
Molecular Weight293.24 g/mol
Exact Mass292.08
IUPAC Name1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene
SMILESCc1ccc(CC(Cl)c2cccc(Cl)c2C)cc1C
InChIInChI=1S/C17H18Cl2/c1-11-7-8-14(9-12(11)2)10-17(19)15-5-4-6-16(18)13(15)3/h4-9,17H,10H2,1-3H3
InChIKeyUDOSOENDIJALGT-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.24
LogP ≤ 55.79
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

1-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81477618
1-bromo-2-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 113403141
1-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029595
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
[1-(2,3-dichlorophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105215164
3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2,5-dimethylthiophene
CID 63432504
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene?
The IUPAC name of 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene (CID 107099889) is 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene.
What is the SMILES notation for 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene?
The canonical SMILES for 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene is Cc1ccc(CC(Cl)c2cccc(Cl)c2C)cc1C.
What is the InChIKey of 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene?
The InChIKey is UDOSOENDIJALGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2/c1-11-7-8-14(9-12(11)2)10-17(19)15-5-4-6-16(18)13(15)3/h4-9,17H,10H2,1-3H3.
What are the key properties of 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene?
1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene has a molecular weight of 293.24 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methylbenzene is sourced from PubChem (CID 107099889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).