2,3-diiodo-1-methoxy-4-methylbenzene

C8H8I2O — CID 130056548

IUPAC2,3-diiodo-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)c(I)c1I
InChIInChI=1S/C8H8I2O/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,1-2H3
InChIKeySYJPPNIBWYWHAL-UHFFFAOYSA-N
MW373.96 g/mol
LogP3.21
Rot. Bonds1

About 2,3-diiodo-1-methoxy-4-methylbenzene

2,3-diiodo-1-methoxy-4-methylbenzene (PubChem CID 130056548) has the molecular formula C8H8I2O and a molecular weight of 373.96 g/mol. Its IUPAC name is 2,3-diiodo-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2,3-diiodo-1-methoxy-4-methylbenzene
PubChem CID130056548
Molecular FormulaC8H8I2O
Molecular Weight373.96 g/mol
Exact Mass373.87
IUPAC Name2,3-diiodo-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)c(I)c1I
InChIInChI=1S/C8H8I2O/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,1-2H3
InChIKeySYJPPNIBWYWHAL-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.96
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
3-iodo-1,2-dimethoxy-4-methylbenzene
CID 131118438
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
1-chloro-3-iodo-4-methoxy-2-methylbenzene
CID 91025767
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
3-iodo-1-(methoxymethoxy)-2,4-dimethylbenzene
CID 171397463
2-(2,6-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
CID 118998450
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
2-(difluoromethoxy)-3-iodo-1,4-dimethoxybenzene
CID 118819202

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-1-methoxy-4-methylbenzene?
The IUPAC name of 2,3-diiodo-1-methoxy-4-methylbenzene (CID 130056548) is 2,3-diiodo-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2,3-diiodo-1-methoxy-4-methylbenzene?
The canonical SMILES for 2,3-diiodo-1-methoxy-4-methylbenzene is COc1ccc(C)c(I)c1I.
What is the InChIKey of 2,3-diiodo-1-methoxy-4-methylbenzene?
The InChIKey is SYJPPNIBWYWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8I2O/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,1-2H3.
What are the key properties of 2,3-diiodo-1-methoxy-4-methylbenzene?
2,3-diiodo-1-methoxy-4-methylbenzene has a molecular weight of 373.96 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-1-methoxy-4-methylbenzene is sourced from PubChem (CID 130056548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).