1-chloro-4-(2-iodopropan-2-yl)benzene

C9H10ClI — CID 135213341

IUPAC1-chloro-4-(2-iodopropan-2-yl)benzene
SMILESCC(C)(I)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClI/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyNTIDKIASYIEMAE-UHFFFAOYSA-N
MW280.54 g/mol
LogP4.01
Rot. Bonds1

About 1-chloro-4-(2-iodopropan-2-yl)benzene

1-chloro-4-(2-iodopropan-2-yl)benzene (PubChem CID 135213341) has the molecular formula C9H10ClI and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-chloro-4-(2-iodopropan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-iodopropan-2-yl)benzene
PubChem CID135213341
Molecular FormulaC9H10ClI
Molecular Weight280.54 g/mol
Exact Mass279.95
IUPAC Name1-chloro-4-(2-iodopropan-2-yl)benzene
SMILESCC(C)(I)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClI/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyNTIDKIASYIEMAE-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 54.01
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

bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
1-chloro-4-(2,2,3,4,4-pentamethylpentan-3-yl)benzene
CID 126544009
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
1-(2-iodopropan-2-yl)-4-phenylbenzene
CID 166661097
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
2-(4-chlorophenyl)-N-methylpropan-2-amine
CID 21341108
bis(4-tert-butylphenyl)-[4-(2-iodopropan-2-yl)phenyl]sulfanium
CID 163900303
1-chloro-4-(2-chlorobutan-2-yl)benzene
CID 71318161
4-[2-[4-[2-[4-(2-iodopropan-2-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]benzenethiol
CID 118920741
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-iodopropan-2-yl)benzene?
The IUPAC name of 1-chloro-4-(2-iodopropan-2-yl)benzene (CID 135213341) is 1-chloro-4-(2-iodopropan-2-yl)benzene.
What is the SMILES notation for 1-chloro-4-(2-iodopropan-2-yl)benzene?
The canonical SMILES for 1-chloro-4-(2-iodopropan-2-yl)benzene is CC(C)(I)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-iodopropan-2-yl)benzene?
The InChIKey is NTIDKIASYIEMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClI/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,1-2H3.
What are the key properties of 1-chloro-4-(2-iodopropan-2-yl)benzene?
1-chloro-4-(2-iodopropan-2-yl)benzene has a molecular weight of 280.54 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-iodopropan-2-yl)benzene is sourced from PubChem (CID 135213341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).