3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene

C10H13IO2 — CID 171397463

IUPAC3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene
SMILESCOCOc1ccc(C)c(I)c1C
InChIInChI=1S/C10H13IO2/c1-7-4-5-9(13-6-12-3)8(2)10(7)11/h4-5H,6H2,1-3H3
InChIKeyGCKJVOKPROCQLT-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.89
Rot. Bonds3

About 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene

3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene (PubChem CID 171397463) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene
PubChem CID171397463
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene
SMILESCOCOc1ccc(C)c(I)c1C
InChIInChI=1S/C10H13IO2/c1-7-4-5-9(13-6-12-3)8(2)10(7)11/h4-5H,6H2,1-3H3
InChIKeyGCKJVOKPROCQLT-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

2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
CID 150296892
2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene
CID 158698772
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
3-(methoxymethoxy)-4-methylaniline
CID 65365143
2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
CID 164886491
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
2-iodo-1-(methoxymethoxy)-3-methyl-5-(trifluoromethyl)benzene
CID 169066840
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
CID 86226921
3-iodo-4-(methoxymethoxy)-2,6-dimethylpyridine
CID 62706856
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
4-[2-fluoro-6-(methoxymethoxy)-3-methylbenzoyl]benzoic acid
CID 54034461

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene?
The IUPAC name of 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene (CID 171397463) is 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene?
The canonical SMILES for 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene is COCOc1ccc(C)c(I)c1C.
What is the InChIKey of 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene?
The InChIKey is GCKJVOKPROCQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-7-4-5-9(13-6-12-3)8(2)10(7)11/h4-5H,6H2,1-3H3.
What are the key properties of 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene?
3-iodo-1-(methoxymethoxy)-2,4-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 3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 171397463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).