1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene

C13H7Cl5 — CID 134617206

IUPAC1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene
SMILESClCc1c(Cl)cccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl5/c14-6-9-8(2-1-3-10(9)16)13-11(17)4-7(15)5-12(13)18/h1-5H,6H2
InChIKeyRBYARWJVBHLQBX-UHFFFAOYSA-N
MW340.46 g/mol
LogP6.71
Rot. Bonds2

About 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene

1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene (PubChem CID 134617206) has the molecular formula C13H7Cl5 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene
PubChem CID134617206
Molecular FormulaC13H7Cl5
Molecular Weight340.46 g/mol
Exact Mass337.90
IUPAC Name1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene
SMILESClCc1c(Cl)cccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl5/c14-6-9-8(2-1-3-10(9)16)13-11(17)4-7(15)5-12(13)18/h1-5H,6H2
InChIKeyRBYARWJVBHLQBX-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
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

2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622761
1-[2-(bromomethyl)-3-chlorophenyl]-2,3,4,5,6-pentachlorobenzene
CID 134617199
2-chloro-6-(2,4,6-trichlorophenyl)benzamide
CID 134622766
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388
1-chloro-2-(chloromethyl)-3-nitrosobenzene
CID 169152038
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
3,5-dichloro-2-(chloromethyl)phenol
CID 131028428
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
8-(2,4,6-trichlorophenyl)quinoline
CID 126516412
1,2,4-trichloro-5-[2-(chloromethyl)-3-fluorophenyl]benzene
CID 134619916
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105349880
1,3,5-trichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 134622379

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene?
The IUPAC name of 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene (CID 134617206) is 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene is ClCc1c(Cl)cccc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene?
The InChIKey is RBYARWJVBHLQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl5/c14-6-9-8(2-1-3-10(9)16)13-11(17)4-7(15)5-12(13)18/h1-5H,6H2.
What are the key properties of 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene?
1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene has a molecular weight of 340.46 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene is sourced from PubChem (CID 134617206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).