1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene

C16H16Cl2 — CID 81324901

IUPAC1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
SMILESCc1cc(Cl)cc(C(Cl)Cc2ccccc2C)c1
InChIInChI=1S/C16H16Cl2/c1-11-7-14(9-15(17)8-11)16(18)10-13-6-4-3-5-12(13)2/h3-9,16H,10H2,1-2H3
InChIKeyBUWJPBZYFUSQFC-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.48
Rot. Bonds3

About 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene

1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene (PubChem CID 81324901) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
PubChem CID81324901
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
SMILESCc1cc(Cl)cc(C(Cl)Cc2ccccc2C)c1
InChIInChI=1S/C16H16Cl2/c1-11-7-14(9-15(17)8-11)16(18)10-13-6-4-3-5-12(13)2/h3-9,16H,10H2,1-2H3
InChIKeyBUWJPBZYFUSQFC-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.48
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-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-fluoro-1,3-dimethylbenzene
CID 106879668
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377706
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
4-bromo-1-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]benzene
CID 55224259
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylfuran
CID 63015918

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene?
The IUPAC name of 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene (CID 81324901) is 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene.
What is the SMILES notation for 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene?
The canonical SMILES for 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene is Cc1cc(Cl)cc(C(Cl)Cc2ccccc2C)c1.
What is the InChIKey of 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene?
The InChIKey is BUWJPBZYFUSQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-11-7-14(9-15(17)8-11)16(18)10-13-6-4-3-5-12(13)2/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene?
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene has a molecular weight of 279.21 g/mol, XLogP of 5.48, 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-(2-methylphenyl)ethyl]-5-methylbenzene is sourced from PubChem (CID 81324901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).