2,3-bis(3-iodophenyl)phenol

C18H12I2O — CID 174395473

IUPAC2,3-bis(3-iodophenyl)phenol
SMILESOc1cccc(-c2cccc(I)c2)c1-c1cccc(I)c1
InChIInChI=1S/C18H12I2O/c19-14-6-1-4-12(10-14)16-8-3-9-17(21)18(16)13-5-2-7-15(20)11-13/h1-11,21H
InChIKeyJAVCXXPIJGZGKU-UHFFFAOYSA-N
MW498.10 g/mol
LogP5.94
Rot. Bonds2

About 2,3-bis(3-iodophenyl)phenol

2,3-bis(3-iodophenyl)phenol (PubChem CID 174395473) has the molecular formula C18H12I2O and a molecular weight of 498.10 g/mol. Its IUPAC name is 2,3-bis(3-iodophenyl)phenol.

Molecular Properties

Compound Name2,3-bis(3-iodophenyl)phenol
PubChem CID174395473
Molecular FormulaC18H12I2O
Molecular Weight498.10 g/mol
Exact Mass497.90
IUPAC Name2,3-bis(3-iodophenyl)phenol
SMILESOc1cccc(-c2cccc(I)c2)c1-c1cccc(I)c1
InChIInChI=1S/C18H12I2O/c19-14-6-1-4-12(10-14)16-8-3-9-17(21)18(16)13-5-2-7-15(20)11-13/h1-11,21H
InChIKeyJAVCXXPIJGZGKU-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.10
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-iodophenyl)phenol?
The IUPAC name of 2,3-bis(3-iodophenyl)phenol (CID 174395473) is 2,3-bis(3-iodophenyl)phenol.
What is the SMILES notation for 2,3-bis(3-iodophenyl)phenol?
The canonical SMILES for 2,3-bis(3-iodophenyl)phenol is Oc1cccc(-c2cccc(I)c2)c1-c1cccc(I)c1.
What is the InChIKey of 2,3-bis(3-iodophenyl)phenol?
The InChIKey is JAVCXXPIJGZGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12I2O/c19-14-6-1-4-12(10-14)16-8-3-9-17(21)18(16)13-5-2-7-15(20)11-13/h1-11,21H.
What are the key properties of 2,3-bis(3-iodophenyl)phenol?
2,3-bis(3-iodophenyl)phenol has a molecular weight of 498.10 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-iodophenyl)phenol is sourced from PubChem (CID 174395473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).