1-chloro-2-[iodo(diphenyl)methyl]benzene

C19H14ClI — CID 143164382

IUPAC1-chloro-2-[iodo(diphenyl)methyl]benzene
SMILESClc1ccccc1C(I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14ClI/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeySUCJEKSTRKLDKL-UHFFFAOYSA-N
MW404.68 g/mol
LogP6.07
Rot. Bonds3

About 1-chloro-2-[iodo(diphenyl)methyl]benzene

1-chloro-2-[iodo(diphenyl)methyl]benzene (PubChem CID 143164382) has the molecular formula C19H14ClI and a molecular weight of 404.68 g/mol. Its IUPAC name is 1-chloro-2-[iodo(diphenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[iodo(diphenyl)methyl]benzene
PubChem CID143164382
Molecular FormulaC19H14ClI
Molecular Weight404.68 g/mol
Exact Mass403.98
IUPAC Name1-chloro-2-[iodo(diphenyl)methyl]benzene
SMILESClc1ccccc1C(I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14ClI/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeySUCJEKSTRKLDKL-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 56.07
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(trichloromethyl)benzene
CID 16494
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
1-chloro-2-[chloro(diphenyl)methyl]benzene;toluene
CID 175216285
N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine
CID 22660829
N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine
CID 22660831
1-chloro-2-[chloro(diphenyl)methyl]benzene;1,4,7-triazonane
CID 131738414
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 6921
azane;1,2-dichlorobenzene
CID 70584322
2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole
CID 14122589
1-[bromo(difluoro)methyl]-2-chlorobenzene
CID 58133508

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[iodo(diphenyl)methyl]benzene?
The IUPAC name of 1-chloro-2-[iodo(diphenyl)methyl]benzene (CID 143164382) is 1-chloro-2-[iodo(diphenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-2-[iodo(diphenyl)methyl]benzene?
The canonical SMILES for 1-chloro-2-[iodo(diphenyl)methyl]benzene is Clc1ccccc1C(I)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloro-2-[iodo(diphenyl)methyl]benzene?
The InChIKey is SUCJEKSTRKLDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClI/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1-chloro-2-[iodo(diphenyl)methyl]benzene?
1-chloro-2-[iodo(diphenyl)methyl]benzene has a molecular weight of 404.68 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[iodo(diphenyl)methyl]benzene is sourced from PubChem (CID 143164382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).