3-iodo-1,2-dimethoxy-4-methylbenzene

C9H11IO2 — CID 131118438

IUPAC3-iodo-1,2-dimethoxy-4-methylbenzene
SMILESCOc1ccc(C)c(I)c1OC
InChIInChI=1S/C9H11IO2/c1-6-4-5-7(11-2)9(12-3)8(6)10/h4-5H,1-3H3
InChIKeyUNQOLYLAZXXFRX-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.62
Rot. Bonds2

About 3-iodo-1,2-dimethoxy-4-methylbenzene

3-iodo-1,2-dimethoxy-4-methylbenzene (PubChem CID 131118438) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 3-iodo-1,2-dimethoxy-4-methylbenzene.

Molecular Properties

Compound Name3-iodo-1,2-dimethoxy-4-methylbenzene
PubChem CID131118438
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name3-iodo-1,2-dimethoxy-4-methylbenzene
SMILESCOc1ccc(C)c(I)c1OC
InChIInChI=1S/C9H11IO2/c1-6-4-5-7(11-2)9(12-3)8(6)10/h4-5H,1-3H3
InChIKeyUNQOLYLAZXXFRX-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
1-chloro-7,8-dimethoxy-2-methylphenanthrene
CID 10517362
2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
CID 119023099
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531
CID 54341332
CID 54341332
2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 10640506
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,2-dimethoxy-4-methylbenzene?
The IUPAC name of 3-iodo-1,2-dimethoxy-4-methylbenzene (CID 131118438) is 3-iodo-1,2-dimethoxy-4-methylbenzene.
What is the SMILES notation for 3-iodo-1,2-dimethoxy-4-methylbenzene?
The canonical SMILES for 3-iodo-1,2-dimethoxy-4-methylbenzene is COc1ccc(C)c(I)c1OC.
What is the InChIKey of 3-iodo-1,2-dimethoxy-4-methylbenzene?
The InChIKey is UNQOLYLAZXXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-6-4-5-7(11-2)9(12-3)8(6)10/h4-5H,1-3H3.
What are the key properties of 3-iodo-1,2-dimethoxy-4-methylbenzene?
3-iodo-1,2-dimethoxy-4-methylbenzene has a molecular weight of 278.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,2-dimethoxy-4-methylbenzene is sourced from PubChem (CID 131118438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).