2,4-diiodo-6-methylbenzene-1,3,5-triol

C7H6I2O3 — CID 146551116

IUPAC2,4-diiodo-6-methylbenzene-1,3,5-triol
SMILESCc1c(O)c(I)c(O)c(I)c1O
InChIInChI=1S/C7H6I2O3/c1-2-5(10)3(8)7(12)4(9)6(2)11/h10-12H,1H3
InChIKeyZXBPNNBHIVJDIG-UHFFFAOYSA-N
MW391.93 g/mol
LogP2.32
Rot. Bonds

About 2,4-diiodo-6-methylbenzene-1,3,5-triol

2,4-diiodo-6-methylbenzene-1,3,5-triol (PubChem CID 146551116) has the molecular formula C7H6I2O3 and a molecular weight of 391.93 g/mol. Its IUPAC name is 2,4-diiodo-6-methylbenzene-1,3,5-triol.

Molecular Properties

Compound Name2,4-diiodo-6-methylbenzene-1,3,5-triol
PubChem CID146551116
Molecular FormulaC7H6I2O3
Molecular Weight391.93 g/mol
Exact Mass391.84
IUPAC Name2,4-diiodo-6-methylbenzene-1,3,5-triol
SMILESCc1c(O)c(I)c(O)c(I)c1O
InChIInChI=1S/C7H6I2O3/c1-2-5(10)3(8)7(12)4(9)6(2)11/h10-12H,1H3
InChIKeyZXBPNNBHIVJDIG-UHFFFAOYSA-N
XLogP2.32
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.93
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-methylbenzene-1,3,5-triol?
The IUPAC name of 2,4-diiodo-6-methylbenzene-1,3,5-triol (CID 146551116) is 2,4-diiodo-6-methylbenzene-1,3,5-triol.
What is the SMILES notation for 2,4-diiodo-6-methylbenzene-1,3,5-triol?
The canonical SMILES for 2,4-diiodo-6-methylbenzene-1,3,5-triol is Cc1c(O)c(I)c(O)c(I)c1O.
What is the InChIKey of 2,4-diiodo-6-methylbenzene-1,3,5-triol?
The InChIKey is ZXBPNNBHIVJDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I2O3/c1-2-5(10)3(8)7(12)4(9)6(2)11/h10-12H,1H3.
What are the key properties of 2,4-diiodo-6-methylbenzene-1,3,5-triol?
2,4-diiodo-6-methylbenzene-1,3,5-triol has a molecular weight of 391.93 g/mol, XLogP of 2.32, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-methylbenzene-1,3,5-triol is sourced from PubChem (CID 146551116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).