4-chloro-1-iodo-2-propan-2-yloxybenzene

C9H10ClIO — CID 142659279

IUPAC4-chloro-1-iodo-2-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Cl)ccc1I
InChIInChI=1S/C9H10ClIO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3
InChIKeyHEZPXFZPQCACOF-UHFFFAOYSA-N
MW296.54 g/mol
LogP3.73
Rot. Bonds2

About 4-chloro-1-iodo-2-propan-2-yloxybenzene

4-chloro-1-iodo-2-propan-2-yloxybenzene (PubChem CID 142659279) has the molecular formula C9H10ClIO and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-chloro-1-iodo-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-chloro-1-iodo-2-propan-2-yloxybenzene
PubChem CID142659279
Molecular FormulaC9H10ClIO
Molecular Weight296.54 g/mol
Exact Mass295.95
IUPAC Name4-chloro-1-iodo-2-propan-2-yloxybenzene
SMILESCC(C)Oc1cc(Cl)ccc1I
InChIInChI=1S/C9H10ClIO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3
InChIKeyHEZPXFZPQCACOF-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-iodo-4-methyl-2-propan-2-yloxybenzene
CID 164893598
4-chloro-1-iodo-2-(4-methylpentoxy)benzene
CID 142659271
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
ethyl 4-chloro-2-propan-2-yloxybenzoate
CID 164894970
2-(1-tert-butylcyclopropyl)oxy-4-chloro-1-iodobenzene
CID 175150288
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
2-chloro-5-iodo-4-propan-2-yloxybenzoic acid
CID 58801717
4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
CID 63432686
1-fluoro-2-iodo-4-propan-2-yloxybenzene
CID 131606959
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-iodo-2-propan-2-yloxybenzene?
The IUPAC name of 4-chloro-1-iodo-2-propan-2-yloxybenzene (CID 142659279) is 4-chloro-1-iodo-2-propan-2-yloxybenzene.
What is the SMILES notation for 4-chloro-1-iodo-2-propan-2-yloxybenzene?
The canonical SMILES for 4-chloro-1-iodo-2-propan-2-yloxybenzene is CC(C)Oc1cc(Cl)ccc1I.
What is the InChIKey of 4-chloro-1-iodo-2-propan-2-yloxybenzene?
The InChIKey is HEZPXFZPQCACOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3.
What are the key properties of 4-chloro-1-iodo-2-propan-2-yloxybenzene?
4-chloro-1-iodo-2-propan-2-yloxybenzene has a molecular weight of 296.54 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-iodo-2-propan-2-yloxybenzene is sourced from PubChem (CID 142659279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).