4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene

C11H15IO — CID 146408442

IUPAC4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene
SMILESCOCc1cc(I)ccc1C(C)C
InChIInChI=1S/C11H15IO/c1-8(2)11-5-4-10(12)6-9(11)7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyRPHZPURCIVZVDF-UHFFFAOYSA-N
MW290.14 g/mol
LogP3.56
Rot. Bonds3

About 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene

4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene (PubChem CID 146408442) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene
PubChem CID146408442
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene
SMILESCOCc1cc(I)ccc1C(C)C
InChIInChI=1S/C11H15IO/c1-8(2)11-5-4-10(12)6-9(11)7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyRPHZPURCIVZVDF-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene?
The IUPAC name of 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene (CID 146408442) is 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene.
What is the SMILES notation for 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene?
The canonical SMILES for 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene is COCc1cc(I)ccc1C(C)C.
What is the InChIKey of 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene?
The InChIKey is RPHZPURCIVZVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO/c1-8(2)11-5-4-10(12)6-9(11)7-13-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene?
4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene has a molecular weight of 290.14 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene is sourced from PubChem (CID 146408442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).