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

C11H15IO2 — CID 171367568

IUPAC1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene
SMILESCOCOc1cc(C(C)C)ccc1I
InChIInChI=1S/C11H15IO2/c1-8(2)9-4-5-10(12)11(6-9)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyIKFOLTRNYRLXKM-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.40
Rot. Bonds4

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

1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene (PubChem CID 171367568) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene
PubChem CID171367568
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene
SMILESCOCOc1cc(C(C)C)ccc1I
InChIInChI=1S/C11H15IO2/c1-8(2)9-4-5-10(12)11(6-9)14-7-13-3/h4-6,8H,7H2,1-3H3
InChIKeyIKFOLTRNYRLXKM-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene?
The IUPAC name of 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene (CID 171367568) is 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene?
The canonical SMILES for 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene is COCOc1cc(C(C)C)ccc1I.
What is the InChIKey of 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene?
The InChIKey is IKFOLTRNYRLXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-8(2)9-4-5-10(12)11(6-9)14-7-13-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene?
1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene has a molecular weight of 306.14 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(methoxymethoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 171367568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).