1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene

C13H9Cl2I — CID 134623247

IUPAC1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene
SMILESCc1cc(I)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2I/c1-8-6-10(16)3-4-11(8)9-2-5-12(14)13(15)7-9/h2-7H,1H3
InChIKeyZEAWCZQGOCQUJH-UHFFFAOYSA-N
MW363.03 g/mol
LogP5.57
Rot. Bonds1

About 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene

1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene (PubChem CID 134623247) has the molecular formula C13H9Cl2I and a molecular weight of 363.03 g/mol. Its IUPAC name is 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene
PubChem CID134623247
Molecular FormulaC13H9Cl2I
Molecular Weight363.03 g/mol
Exact Mass361.91
IUPAC Name1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene
SMILESCc1cc(I)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2I/c1-8-6-10(16)3-4-11(8)9-2-5-12(14)13(15)7-9/h2-7H,1H3
InChIKeyZEAWCZQGOCQUJH-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.03
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092861
N-[1-(3,4-dichlorophenyl)propyl]-4-iodo-2-methylaniline
CID 63440708
2-(3,4-dichlorophenyl)-4,6-dimethylbenzaldehyde
CID 13186066
1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
CID 129016588
1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
CID 71242096
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
5-(3,4-dichlorophenyl)-2-methylphenol
CID 53219084
2-(2,5-dichlorophenyl)-5-iodo-3-methylpyridine
CID 118825049
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene?
The IUPAC name of 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene (CID 134623247) is 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene is Cc1cc(I)ccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene?
The InChIKey is ZEAWCZQGOCQUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2I/c1-8-6-10(16)3-4-11(8)9-2-5-12(14)13(15)7-9/h2-7H,1H3.
What are the key properties of 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene?
1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene has a molecular weight of 363.03 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(4-iodo-2-methylphenyl)benzene is sourced from PubChem (CID 134623247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).