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

C16H16Cl2 — CID 82890883

IUPAC4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
SMILESCc1cccc(CC(Cl)c2cc(Cl)ccc2C)c1
InChIInChI=1S/C16H16Cl2/c1-11-4-3-5-13(8-11)9-16(18)15-10-14(17)7-6-12(15)2/h3-8,10,16H,9H2,1-2H3
InChIKeyCXQJDJSQXRWBHK-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.48
Rot. Bonds3

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

4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene (PubChem CID 82890883) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
PubChem CID82890883
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
SMILESCc1cccc(CC(Cl)c2cc(Cl)ccc2C)c1
InChIInChI=1S/C16H16Cl2/c1-11-4-3-5-13(8-11)9-16(18)15-10-14(17)7-6-12(15)2/h3-8,10,16H,9H2,1-2H3
InChIKeyCXQJDJSQXRWBHK-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

2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543581
2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
CID 82891112
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
CID 114028154
1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 79592812
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
CID 63542188
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
CID 55249874
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene?
The IUPAC name of 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene (CID 82890883) is 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene?
The canonical SMILES for 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene is Cc1cccc(CC(Cl)c2cc(Cl)ccc2C)c1.
What is the InChIKey of 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene?
The InChIKey is CXQJDJSQXRWBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-11-4-3-5-13(8-11)9-16(18)15-10-14(17)7-6-12(15)2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene?
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-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 4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene is sourced from PubChem (CID 82890883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).