1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene

C16H15Cl3 — CID 113319615

IUPAC1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H15Cl3/c1-10-7-14(15(18)8-11(10)2)16(19)9-12-3-5-13(17)6-4-12/h3-8,16H,9H2,1-2H3
InChIKeyMHDHDICPNAFQLN-UHFFFAOYSA-N
MW313.66 g/mol
LogP6.13
Rot. Bonds3

About 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene

1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene (PubChem CID 113319615) has the molecular formula C16H15Cl3 and a molecular weight of 313.66 g/mol. Its IUPAC name is 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
PubChem CID113319615
Molecular FormulaC16H15Cl3
Molecular Weight313.66 g/mol
Exact Mass312.02
IUPAC Name1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
SMILESCc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C16H15Cl3/c1-10-7-14(15(18)8-11(10)2)16(19)9-12-3-5-13(17)6-4-12/h3-8,16H,9H2,1-2H3
InChIKeyMHDHDICPNAFQLN-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.66
LogP ≤ 56.13
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

1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432776
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250
1-(2-chloro-4,5-dimethylphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115483837
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82772537
2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
CID 82891112
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
CID 55249874
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene?
The IUPAC name of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene (CID 113319615) is 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene.
What is the SMILES notation for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene?
The canonical SMILES for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene is Cc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene?
The InChIKey is MHDHDICPNAFQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3/c1-10-7-14(15(18)8-11(10)2)16(19)9-12-3-5-13(17)6-4-12/h3-8,16H,9H2,1-2H3.
What are the key properties of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene?
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene has a molecular weight of 313.66 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene is sourced from PubChem (CID 113319615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).