3,6-diiodo-2-methylphenol

C7H6I2O — CID 131073470

IUPAC3,6-diiodo-2-methylphenol
SMILESCc1c(I)ccc(I)c1O
InChIInChI=1S/C7H6I2O/c1-4-5(8)2-3-6(9)7(4)10/h2-3,10H,1H3
InChIKeyYCBMQXNFKDWGRM-UHFFFAOYSA-N
MW359.93 g/mol
LogP2.91
Rot. Bonds

About 3,6-diiodo-2-methylphenol

3,6-diiodo-2-methylphenol (PubChem CID 131073470) has the molecular formula C7H6I2O and a molecular weight of 359.93 g/mol. Its IUPAC name is 3,6-diiodo-2-methylphenol.

Molecular Properties

Compound Name3,6-diiodo-2-methylphenol
PubChem CID131073470
Molecular FormulaC7H6I2O
Molecular Weight359.93 g/mol
Exact Mass359.85
IUPAC Name3,6-diiodo-2-methylphenol
SMILESCc1c(I)ccc(I)c1O
InChIInChI=1S/C7H6I2O/c1-4-5(8)2-3-6(9)7(4)10/h2-3,10H,1H3
InChIKeyYCBMQXNFKDWGRM-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.93
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-iodo-3-methylbenzenecarboximidamide
CID 141275525
2,3-diiodo-6-methylphenol
CID 130788183
3-fluoro-1-iodo-2,4-dimethylbenzene
CID 129014010
1-iodo-4-[(4-iodo-2,3-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 163209653
2,6-diiodo-4-methylphenol
CID 4541084
3-(bromomethyl)-1-iodo-2,4-dimethylbenzene
CID 171015860
3-iodo-2,6-dimethylbenzenethiol
CID 91874812
3-chloro-6-iodo-2-methylsulfanylphenol
CID 171368115
1-bromo-3-chloro-4-iodo-2-methylbenzene
CID 90963698
1-chloro-2-fluoro-4-iodo-3-methylbenzene
CID 131011720
N-(3-iodo-2,6-dimethylphenyl)acetamide
CID 4608715
2,4-dihydroxy-5-iodo-3-methylbenzamide
CID 87861226

Frequently Asked Questions

What is the IUPAC name of 3,6-diiodo-2-methylphenol?
The IUPAC name of 3,6-diiodo-2-methylphenol (CID 131073470) is 3,6-diiodo-2-methylphenol.
What is the SMILES notation for 3,6-diiodo-2-methylphenol?
The canonical SMILES for 3,6-diiodo-2-methylphenol is Cc1c(I)ccc(I)c1O.
What is the InChIKey of 3,6-diiodo-2-methylphenol?
The InChIKey is YCBMQXNFKDWGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I2O/c1-4-5(8)2-3-6(9)7(4)10/h2-3,10H,1H3.
What are the key properties of 3,6-diiodo-2-methylphenol?
3,6-diiodo-2-methylphenol has a molecular weight of 359.93 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diiodo-2-methylphenol is sourced from PubChem (CID 131073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).