1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene

C11H15IO2 — CID 155284614

IUPAC1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene
SMILESCCOCOc1cc(C)cc(C)c1I
InChIInChI=1S/C11H15IO2/c1-4-13-7-14-10-6-8(2)5-9(3)11(10)12/h5-6H,4,7H2,1-3H3
InChIKeyNUBXGUDALMRAIR-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.28
Rot. Bonds4

About 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene

1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene (PubChem CID 155284614) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene
PubChem CID155284614
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene
SMILESCCOCOc1cc(C)cc(C)c1I
InChIInChI=1S/C11H15IO2/c1-4-13-7-14-10-6-8(2)5-9(3)11(10)12/h5-6H,4,7H2,1-3H3
InChIKeyNUBXGUDALMRAIR-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethoxy)-4-methylaniline
CID 65365090
2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
CID 164886491
3-(ethoxymethoxy)-4-methylaniline
CID 65364310
1-bromo-2-(ethoxymethoxy)-4-iodobenzene
CID 168973404
2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene
CID 169066840
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
1,4-bis(ethoxymethoxy)-2-iodo-3,5,6-trimethylbenzene
CID 24741912
[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 65369939
5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene
CID 67625955
2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
CID 158102825
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
2-ethoxy-6-iodo-4-methylphenol
CID 131395873

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene?
The IUPAC name of 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene (CID 155284614) is 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene.
What is the SMILES notation for 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene?
The canonical SMILES for 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene is CCOCOc1cc(C)cc(C)c1I.
What is the InChIKey of 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene?
The InChIKey is NUBXGUDALMRAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-4-13-7-14-10-6-8(2)5-9(3)11(10)12/h5-6H,4,7H2,1-3H3.
What are the key properties of 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene?
1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene has a molecular weight of 306.14 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethoxy)-2-iodo-3,5-dimethylbenzene is sourced from PubChem (CID 155284614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).