2-iodopropan-2-yloxybenzene

C9H11IO — CID 147876431

IUPAC2-iodopropan-2-yloxybenzene
SMILESCC(C)(I)Oc1ccccc1
InChIInChI=1S/C9H11IO/c1-9(2,10)11-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyHZPMEKDNJXBQGA-UHFFFAOYSA-N
MW262.09 g/mol
LogP3.24
Rot. Bonds2

About 2-iodopropan-2-yloxybenzene

2-iodopropan-2-yloxybenzene (PubChem CID 147876431) has the molecular formula C9H11IO and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-iodopropan-2-yloxybenzene.

Molecular Properties

Compound Name2-iodopropan-2-yloxybenzene
PubChem CID147876431
Molecular FormulaC9H11IO
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name2-iodopropan-2-yloxybenzene
SMILESCC(C)(I)Oc1ccccc1
InChIInChI=1S/C9H11IO/c1-9(2,10)11-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyHZPMEKDNJXBQGA-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triiodomethoxybenzene
CID 70252618
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1-(1,1-diphenoxyethoxy)-4-(triphenoxymethyl)benzene
CID 157140983
1-chloro-1-phenoxyethanol
CID 66681023
(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
CID 91459981
CID 87537377
CID 87537377
2-methyl-2-phenoxypentan-3-ol
CID 54041367
2-phenoxybutan-2-ylphosphane
CID 89070581
2,4-dimethyl-4-phenoxypentan-2-amine
CID 91544651
trifluoromethoxybenzene
CID 157402708

Frequently Asked Questions

What is the IUPAC name of 2-iodopropan-2-yloxybenzene?
The IUPAC name of 2-iodopropan-2-yloxybenzene (CID 147876431) is 2-iodopropan-2-yloxybenzene.
What is the SMILES notation for 2-iodopropan-2-yloxybenzene?
The canonical SMILES for 2-iodopropan-2-yloxybenzene is CC(C)(I)Oc1ccccc1.
What is the InChIKey of 2-iodopropan-2-yloxybenzene?
The InChIKey is HZPMEKDNJXBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO/c1-9(2,10)11-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 2-iodopropan-2-yloxybenzene?
2-iodopropan-2-yloxybenzene has a molecular weight of 262.09 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopropan-2-yloxybenzene is sourced from PubChem (CID 147876431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).