4-(chloromethyl)-2,5-diiodophenol

C7H5ClI2O — CID 131011104

IUPAC4-(chloromethyl)-2,5-diiodophenol
SMILESOc1cc(I)c(CCl)cc1I
InChIInChI=1S/C7H5ClI2O/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2,11H,3H2
InChIKeyYQIVWRXNCBEIDN-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.34
Rot. Bonds1

About 4-(chloromethyl)-2,5-diiodophenol

4-(chloromethyl)-2,5-diiodophenol (PubChem CID 131011104) has the molecular formula C7H5ClI2O and a molecular weight of 394.38 g/mol. Its IUPAC name is 4-(chloromethyl)-2,5-diiodophenol.

Molecular Properties

Compound Name4-(chloromethyl)-2,5-diiodophenol
PubChem CID131011104
Molecular FormulaC7H5ClI2O
Molecular Weight394.38 g/mol
Exact Mass393.81
IUPAC Name4-(chloromethyl)-2,5-diiodophenol
SMILESOc1cc(I)c(CCl)cc1I
InChIInChI=1S/C7H5ClI2O/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2,11H,3H2
InChIKeyYQIVWRXNCBEIDN-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,5-diiodophenol?
The IUPAC name of 4-(chloromethyl)-2,5-diiodophenol (CID 131011104) is 4-(chloromethyl)-2,5-diiodophenol.
What is the SMILES notation for 4-(chloromethyl)-2,5-diiodophenol?
The canonical SMILES for 4-(chloromethyl)-2,5-diiodophenol is Oc1cc(I)c(CCl)cc1I.
What is the InChIKey of 4-(chloromethyl)-2,5-diiodophenol?
The InChIKey is YQIVWRXNCBEIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClI2O/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2,11H,3H2.
What are the key properties of 4-(chloromethyl)-2,5-diiodophenol?
4-(chloromethyl)-2,5-diiodophenol has a molecular weight of 394.38 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,5-diiodophenol is sourced from PubChem (CID 131011104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).