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

C10H13IO2 — CID 150296892

IUPAC2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
SMILESCOCOc1cc(C)c(I)c(C)c1
InChIInChI=1S/C10H13IO2/c1-7-4-9(13-6-12-3)5-8(2)10(7)11/h4-5H,6H2,1-3H3
InChIKeyGITSIMPNZGSDAF-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.89
Rot. Bonds3

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

2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene (PubChem CID 150296892) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
PubChem CID150296892
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
SMILESCOCOc1cc(C)c(I)c(C)c1
InChIInChI=1S/C10H13IO2/c1-7-4-9(13-6-12-3)5-8(2)10(7)11/h4-5H,6H2,1-3H3
InChIKeyGITSIMPNZGSDAF-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.89
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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Related Compounds

1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
4-(methoxymethoxy)-2-methylaniline
CID 14883323
2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene
CID 169066840
1,4-bis(methoxymethoxy)benzene
CID 542643
3-iodo-4-(methoxymethoxy)-2,6-dimethylpyridine
CID 62706856
3-(methoxymethoxy)-5-methylaniline
CID 143853876
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
CID 164886491
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene
CID 171397463
6-(methoxymethoxy)-1,8-dimethyl-2,3-dihydronaphthalene
CID 170314610

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene?
The IUPAC name of 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene (CID 150296892) is 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene?
The canonical SMILES for 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene is COCOc1cc(C)c(I)c(C)c1.
What is the InChIKey of 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene?
The InChIKey is GITSIMPNZGSDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-7-4-9(13-6-12-3)5-8(2)10(7)11/h4-5H,6H2,1-3H3.
What are the key properties of 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene?
2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene has a molecular weight of 292.12 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 150296892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).