3,6-dichloro-2-iodophenol

C6H3Cl2IO — CID 71373387

IUPAC3,6-dichloro-2-iodophenol
SMILESOc1c(Cl)ccc(Cl)c1I
InChIInChI=1S/C6H3Cl2IO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyPMAYNFGBJWRVSQ-UHFFFAOYSA-N
MW288.90 g/mol
LogP3.30
Rot. Bonds

About 3,6-dichloro-2-iodophenol

3,6-dichloro-2-iodophenol (PubChem CID 71373387) has the molecular formula C6H3Cl2IO and a molecular weight of 288.90 g/mol. Its IUPAC name is 3,6-dichloro-2-iodophenol.

Molecular Properties

Compound Name3,6-dichloro-2-iodophenol
PubChem CID71373387
Molecular FormulaC6H3Cl2IO
Molecular Weight288.90 g/mol
Exact Mass287.86
IUPAC Name3,6-dichloro-2-iodophenol
SMILESOc1c(Cl)ccc(Cl)c1I
InChIInChI=1S/C6H3Cl2IO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyPMAYNFGBJWRVSQ-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-iodophenol?
The IUPAC name of 3,6-dichloro-2-iodophenol (CID 71373387) is 3,6-dichloro-2-iodophenol.
What is the SMILES notation for 3,6-dichloro-2-iodophenol?
The canonical SMILES for 3,6-dichloro-2-iodophenol is Oc1c(Cl)ccc(Cl)c1I.
What is the InChIKey of 3,6-dichloro-2-iodophenol?
The InChIKey is PMAYNFGBJWRVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2IO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H.
What are the key properties of 3,6-dichloro-2-iodophenol?
3,6-dichloro-2-iodophenol has a molecular weight of 288.90 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-iodophenol is sourced from PubChem (CID 71373387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).