1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene

C13H8Cl3I — CID 63436197

IUPAC1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2ccccc2I)cc1Cl
InChIInChI=1S/C13H8Cl3I/c14-10-6-5-8(7-11(10)15)13(16)9-3-1-2-4-12(9)17/h1-7,13H
InChIKeyAKVYWDPEIOLDTP-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.93
Rot. Bonds2

About 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene

1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene (PubChem CID 63436197) has the molecular formula C13H8Cl3I and a molecular weight of 397.47 g/mol. Its IUPAC name is 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene
PubChem CID63436197
Molecular FormulaC13H8Cl3I
Molecular Weight397.47 g/mol
Exact Mass395.87
IUPAC Name1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2ccccc2I)cc1Cl
InChIInChI=1S/C13H8Cl3I/c14-10-6-5-8(7-11(10)15)13(16)9-3-1-2-4-12(9)17/h1-7,13H
InChIKeyAKVYWDPEIOLDTP-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 61082755
6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61085146
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
5-[chloro-(2-iodophenyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500038
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
CID 103210535

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene (CID 63436197) is 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene is Clc1ccc(C(Cl)c2ccccc2I)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene?
The InChIKey is AKVYWDPEIOLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3I/c14-10-6-5-8(7-11(10)15)13(16)9-3-1-2-4-12(9)17/h1-7,13H.
What are the key properties of 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene?
1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene has a molecular weight of 397.47 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene is sourced from PubChem (CID 63436197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).