2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene

C16H15Cl2I — CID 103210747

IUPAC2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene
SMILESCC(C)c1ccc(C(Cl)c2ccc(I)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2I/c1-10(2)11-3-5-12(6-4-11)16(18)13-7-8-15(19)14(17)9-13/h3-10,16H,1-2H3
InChIKeyNWENNDQNHKRRRU-UHFFFAOYSA-N
MW405.11 g/mol
LogP6.40
Rot. Bonds3

About 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene

2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene (PubChem CID 103210747) has the molecular formula C16H15Cl2I and a molecular weight of 405.11 g/mol. Its IUPAC name is 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene.

Molecular Properties

Compound Name2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene
PubChem CID103210747
Molecular FormulaC16H15Cl2I
Molecular Weight405.11 g/mol
Exact Mass403.96
IUPAC Name2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene
SMILESCC(C)c1ccc(C(Cl)c2ccc(I)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2I/c1-10(2)11-3-5-12(6-4-11)16(18)13-7-8-15(19)14(17)9-13/h3-10,16H,1-2H3
InChIKeyNWENNDQNHKRRRU-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.11
LogP ≤ 56.40
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'}

Analyze 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-iodobenzene
CID 103210535
6-[chloro-(3-chloro-4-iodophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 103210512
1-[chloro-(3-chloro-4-iodophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 103210753
2-bromo-5-[chloro-(3-chloro-4-iodophenyl)methyl]thiophene
CID 103210763
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
[1-(3-chloro-4-iodophenyl)-4-methylpentyl]hydrazine
CID 103217356
1-(3-chloro-4-iodophenyl)-2-pyridin-4-ylpropan-1-ol
CID 103222612
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 103216999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene?
The IUPAC name of 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene (CID 103210747) is 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene.
What is the SMILES notation for 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene?
The canonical SMILES for 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene is CC(C)c1ccc(C(Cl)c2ccc(I)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene?
The InChIKey is NWENNDQNHKRRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2I/c1-10(2)11-3-5-12(6-4-11)16(18)13-7-8-15(19)14(17)9-13/h3-10,16H,1-2H3.
What are the key properties of 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene?
2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene has a molecular weight of 405.11 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[chloro-(4-propan-2-ylphenyl)methyl]-1-iodobenzene is sourced from PubChem (CID 103210747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).