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

C18H19BrCl2 — CID 79444727

IUPAC4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(CCl)(CCl)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H19BrCl2/c1-13-3-4-15(9-14(13)2)10-18(11-20,12-21)16-5-7-17(19)8-6-16/h3-9H,10-12H2,1-2H3
InChIKeyCJZOJTBGVIVWKV-UHFFFAOYSA-N
MW386.16 g/mol
LogP6.02
Rot. Bonds5

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

4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene (PubChem CID 79444727) has the molecular formula C18H19BrCl2 and a molecular weight of 386.16 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene
PubChem CID79444727
Molecular FormulaC18H19BrCl2
Molecular Weight386.16 g/mol
Exact Mass384.00
IUPAC Name4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(CCl)(CCl)c2ccc(Br)cc2)cc1C
InChIInChI=1S/C18H19BrCl2/c1-13-3-4-15(9-14(13)2)10-18(11-20,12-21)16-5-7-17(19)8-6-16/h3-9H,10-12H2,1-2H3
InChIKeyCJZOJTBGVIVWKV-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.16
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1,2-dimethylbenzene
CID 79446806
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1,2-dimethylbenzene
CID 79447242
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
1-[1-chloro-2-(chloromethyl)-3-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 79448356
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
1-bromo-3-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]benzene
CID 79453552
4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1-methylpyrazole
CID 79454018
1-bromo-3-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]benzene
CID 79453905
1-bromo-4-[1-chloro-2-(chloromethyl)heptan-2-yl]benzene
CID 79453081
1-bromo-4-[1-chloro-2-(chloromethyl)nonan-2-yl]benzene
CID 79453845
1-bromo-4-[1-chloro-2-(chloromethyl)decan-2-yl]benzene
CID 79453166
1-chloro-3-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]benzene
CID 79447991

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene (CID 79444727) is 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene is Cc1ccc(CC(CCl)(CCl)c2ccc(Br)cc2)cc1C.
What is the InChIKey of 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene?
The InChIKey is CJZOJTBGVIVWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrCl2/c1-13-3-4-15(9-14(13)2)10-18(11-20,12-21)16-5-7-17(19)8-6-16/h3-9H,10-12H2,1-2H3.
What are the key properties of 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene?
4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene has a molecular weight of 386.16 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene is sourced from PubChem (CID 79444727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).