4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene

C18H19Cl3 — CID 79446806

IUPAC4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(CCl)(CCl)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H19Cl3/c1-13-3-4-15(9-14(13)2)10-18(11-19,12-20)16-5-7-17(21)8-6-16/h3-9H,10-12H2,1-2H3
InChIKeyWXYKKYSKFCKIDN-UHFFFAOYSA-N
MW341.71 g/mol
LogP5.91
Rot. Bonds5

About 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene

4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene (PubChem CID 79446806) has the molecular formula C18H19Cl3 and a molecular weight of 341.71 g/mol. Its IUPAC name is 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene
PubChem CID79446806
Molecular FormulaC18H19Cl3
Molecular Weight341.71 g/mol
Exact Mass340.06
IUPAC Name4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(CCl)(CCl)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H19Cl3/c1-13-3-4-15(9-14(13)2)10-18(11-19,12-20)16-5-7-17(21)8-6-16/h3-9H,10-12H2,1-2H3
InChIKeyWXYKKYSKFCKIDN-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.71
LogP ≤ 55.91
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

4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene
CID 79444727
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,2-dimethylbenzene
CID 79447242
1-[1-chloro-2-(chloromethyl)-3-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 79448356
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]benzene
CID 79447991
1-bromo-3-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]benzene
CID 79453552
1-chloro-4-[1-chloro-2-(chloromethyl)butan-2-yl]benzene
CID 79453553
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]benzene
CID 79453395
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
4-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-1,2-difluorobenzene
CID 82927129
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene (CID 79446806) is 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene is Cc1ccc(CC(CCl)(CCl)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene?
The InChIKey is WXYKKYSKFCKIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3/c1-13-3-4-15(9-14(13)2)10-18(11-19,12-20)16-5-7-17(21)8-6-16/h3-9H,10-12H2,1-2H3.
What are the key properties of 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene?
4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene has a molecular weight of 341.71 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene is sourced from PubChem (CID 79446806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).