1-iodo-3,5-dimethoxybenzene

C8H9IO2 — CID 640179

IUPAC1-iodo-3,5-dimethoxybenzene
SMILESCOc1cc(I)cc(OC)c1
InChIInChI=1S/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKeyMMOMUEFLZAHIAZ-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.31
Rot. Bonds2

About 1-iodo-3,5-dimethoxybenzene

1-iodo-3,5-dimethoxybenzene (PubChem CID 640179) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 1-iodo-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-iodo-3,5-dimethoxybenzene
PubChem CID640179
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name1-iodo-3,5-dimethoxybenzene
SMILESCOc1cc(I)cc(OC)c1
InChIInChI=1S/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKeyMMOMUEFLZAHIAZ-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.31
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

1,3,5-Trimethoxybenzene
CID 69301
3-Methoxyphenol
CID 9007
Flamenol
CID 71648
1,3-Dimethoxybenzene
CID 9025
1,2,4-Trimethoxybenzene
CID 67284
1,2,3-Trimethoxybenzene
CID 12462
3,5-Dimethoxyphenol
CID 10383
3,5-Dimethoxytoluene
CID 77844
o-Iodoanisole
CID 68257
2,6-Dimethoxytoluene
CID 79755
3-Ethoxyphenol
CID 69306
1-Chloro-3,5-dimethoxybenzene
CID 81502

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3,5-dimethoxybenzene?
The IUPAC name of 1-iodo-3,5-dimethoxybenzene (CID 640179) is 1-iodo-3,5-dimethoxybenzene.
What is the SMILES notation for 1-iodo-3,5-dimethoxybenzene?
The canonical SMILES for 1-iodo-3,5-dimethoxybenzene is COc1cc(I)cc(OC)c1.
What is the InChIKey of 1-iodo-3,5-dimethoxybenzene?
The InChIKey is MMOMUEFLZAHIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3.
What are the key properties of 1-iodo-3,5-dimethoxybenzene?
1-iodo-3,5-dimethoxybenzene has a molecular weight of 264.06 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3,5-dimethoxybenzene is sourced from PubChem (CID 640179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).