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

C16H13BrCl4 — CID 79444902

IUPAC2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene
SMILESClCC(CCl)(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H13BrCl4/c17-12-4-1-3-11(7-12)16(9-18,10-19)8-13-14(20)5-2-6-15(13)21/h1-7H,8-10H2
InChIKeyCXERDARMSISDKK-UHFFFAOYSA-N
MW427.00 g/mol
LogP6.71
Rot. Bonds5

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

2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene (PubChem CID 79444902) has the molecular formula C16H13BrCl4 and a molecular weight of 427.00 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene
PubChem CID79444902
Molecular FormulaC16H13BrCl4
Molecular Weight427.00 g/mol
Exact Mass423.90
IUPAC Name2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene
SMILESClCC(CCl)(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H13BrCl4/c17-12-4-1-3-11(7-12)16(9-18,10-19)8-13-14(20)5-2-6-15(13)21/h1-7H,8-10H2
InChIKeyCXERDARMSISDKK-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.00
LogP ≤ 56.71
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-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-3-chloro-2-fluorobenzene
CID 102864006
1-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-2,4-difluorobenzene
CID 79444930
1-bromo-3-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]benzene
CID 79453552
5-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1-ethyl-1,2,4-triazole
CID 79453425
1-bromo-3-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]benzene
CID 79453905
2-(3-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]propane-1,3-diol
CID 106870763
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
2-benzyl-2-(3-bromophenyl)propane-1,3-diol
CID 79447171
1,2-dichloro-4-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]benzene
CID 79444036
4-bromo-2-[3-bromo-2-(bromomethyl)-2-(3-bromophenyl)propyl]thiophene
CID 79455363
4-bromo-2-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1-fluorobenzene
CID 79446799
1-bromo-3-[1-bromo-2-(bromomethyl)-3-(4-fluorophenyl)propan-2-yl]benzene
CID 79456010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene (CID 79444902) is 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene is ClCC(CCl)(Cc1c(Cl)cccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene?
The InChIKey is CXERDARMSISDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl4/c17-12-4-1-3-11(7-12)16(9-18,10-19)8-13-14(20)5-2-6-15(13)21/h1-7H,8-10H2.
What are the key properties of 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene?
2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene has a molecular weight of 427.00 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,3-dichlorobenzene is sourced from PubChem (CID 79444902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).