1-iodo-4-methyl-2-propan-2-yloxybenzene

C10H13IO — CID 164893598

IUPAC1-iodo-4-methyl-2-propan-2-yloxybenzene
SMILESCc1ccc(I)c(OC(C)C)c1
InChIInChI=1S/C10H13IO/c1-7(2)12-10-6-8(3)4-5-9(10)11/h4-7H,1-3H3
InChIKeyXYZKJPSLNHXMNL-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.39
Rot. Bonds2

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

1-iodo-4-methyl-2-propan-2-yloxybenzene (PubChem CID 164893598) has the molecular formula C10H13IO and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-iodo-4-methyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-iodo-4-methyl-2-propan-2-yloxybenzene
PubChem CID164893598
Molecular FormulaC10H13IO
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Name1-iodo-4-methyl-2-propan-2-yloxybenzene
SMILESCc1ccc(I)c(OC(C)C)c1
InChIInChI=1S/C10H13IO/c1-7(2)12-10-6-8(3)4-5-9(10)11/h4-7H,1-3H3
InChIKeyXYZKJPSLNHXMNL-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.39
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

4-chloro-1-iodo-2-propan-2-yloxybenzene
CID 142659279
1-chloro-2-(1-iodoethoxy)-4-methylbenzene
CID 130224829
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
N-(4-methyl-2-propan-2-yloxyphenyl)acetamide
CID 71514157
2-(4-methyl-2-propan-2-yloxyphenyl)acetaldehyde
CID 83878089
4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
CID 145107879
2-butoxy-1-iodo-4-methylbenzene
CID 174551219
magnesium;hydride;1-iodo-2,4-dimethylbenzene
CID 173036692
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methyl-2-propan-2-yloxybenzene?
The IUPAC name of 1-iodo-4-methyl-2-propan-2-yloxybenzene (CID 164893598) is 1-iodo-4-methyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-iodo-4-methyl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-iodo-4-methyl-2-propan-2-yloxybenzene is Cc1ccc(I)c(OC(C)C)c1.
What is the InChIKey of 1-iodo-4-methyl-2-propan-2-yloxybenzene?
The InChIKey is XYZKJPSLNHXMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO/c1-7(2)12-10-6-8(3)4-5-9(10)11/h4-7H,1-3H3.
What are the key properties of 1-iodo-4-methyl-2-propan-2-yloxybenzene?
1-iodo-4-methyl-2-propan-2-yloxybenzene has a molecular weight of 276.12 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 164893598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).