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

C16H13Cl5 — CID 79444471

IUPAC2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
SMILESClCC(CCl)(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13Cl5/c17-9-16(10-18,13-3-1-2-4-14(13)20)8-11-5-6-12(19)7-15(11)21/h1-7H,8-10H2
InChIKeyXOSUIHHEJGOSMB-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.60
Rot. Bonds5

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

2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene (PubChem CID 79444471) has the molecular formula C16H13Cl5 and a molecular weight of 382.55 g/mol. Its IUPAC name is 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
PubChem CID79444471
Molecular FormulaC16H13Cl5
Molecular Weight382.55 g/mol
Exact Mass379.95
IUPAC Name2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
SMILESClCC(CCl)(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13Cl5/c17-9-16(10-18,13-3-1-2-4-14(13)20)8-11-5-6-12(19)7-15(11)21/h1-7H,8-10H2
InChIKeyXOSUIHHEJGOSMB-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.60
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-chloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]-4-methylbenzene
CID 106870780
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene
CID 79453067
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]benzene
CID 79453918
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene
CID 122575608
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
1-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-2,4-dichlorobenzene
CID 79446063
1-chloro-2-[1-chloro-2-(chloromethyl)-3-methoxypropan-2-yl]benzene
CID 103985311
1-chloro-2-[1-chloro-2-(chloromethyl)-5,5-dimethylhexan-2-yl]benzene
CID 79453577
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene?
The IUPAC name of 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene (CID 79444471) is 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene is ClCC(CCl)(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene?
The InChIKey is XOSUIHHEJGOSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl5/c17-9-16(10-18,13-3-1-2-4-14(13)20)8-11-5-6-12(19)7-15(11)21/h1-7H,8-10H2.
What are the key properties of 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene?
2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene has a molecular weight of 382.55 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene is sourced from PubChem (CID 79444471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).