2-iodophenol;3-iodophenol

C12H10I2O2 — CID 68975809

IUPAC2-iodophenol;3-iodophenol
SMILESOc1cccc(I)c1.Oc1ccccc1I
InChIInChI=1S/2C6H5IO/c7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h2*1-4,8H
InChIKeyDCXLXRAJVZTAJQ-UHFFFAOYSA-N
MW440.02 g/mol
LogP3.99
Rot. Bonds

About 2-iodophenol;3-iodophenol

2-iodophenol;3-iodophenol (PubChem CID 68975809) has the molecular formula C12H10I2O2 and a molecular weight of 440.02 g/mol. Its IUPAC name is 2-iodophenol;3-iodophenol.

Molecular Properties

Compound Name2-iodophenol;3-iodophenol
PubChem CID68975809
Molecular FormulaC12H10I2O2
Molecular Weight440.02 g/mol
Exact Mass439.88
IUPAC Name2-iodophenol;3-iodophenol
SMILESOc1cccc(I)c1.Oc1ccccc1I
InChIInChI=1S/2C6H5IO/c7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h2*1-4,8H
InChIKeyDCXLXRAJVZTAJQ-UHFFFAOYSA-N
XLogP3.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.02
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodophenol
CID 10784
2-iodophenol;4-iodophenol
CID 67440889
2-iodophenol;3,4,5-trichlorophenol
CID 154941480
benzene-1,3-diol;phenol
CID 23218590
actinium;2,5-diiodophenol
CID 59887168
benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol
CID 160586828
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
benzene-1,3-diol;tris(yttrium)
CID 23386139
2,5-dichlorophenol;2-iodophenol
CID 70439012
sodium;2,6-dichlorophenolate;2-iodophenol
CID 175356810

Frequently Asked Questions

What is the IUPAC name of 2-iodophenol;3-iodophenol?
The IUPAC name of 2-iodophenol;3-iodophenol (CID 68975809) is 2-iodophenol;3-iodophenol.
What is the SMILES notation for 2-iodophenol;3-iodophenol?
The canonical SMILES for 2-iodophenol;3-iodophenol is Oc1cccc(I)c1.Oc1ccccc1I.
What is the InChIKey of 2-iodophenol;3-iodophenol?
The InChIKey is DCXLXRAJVZTAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5IO/c7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h2*1-4,8H.
What are the key properties of 2-iodophenol;3-iodophenol?
2-iodophenol;3-iodophenol has a molecular weight of 440.02 g/mol, XLogP of 3.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodophenol;3-iodophenol is sourced from PubChem (CID 68975809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).