4-iodo-5-methoxy-2-methylphenol

C8H9IO2 — CID 166815772

IUPAC4-iodo-5-methoxy-2-methylphenol
SMILESCOc1cc(O)c(C)cc1I
InChIInChI=1S/C8H9IO2/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4,10H,1-2H3
InChIKeyJCSJWCJFXPGQOO-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.31
Rot. Bonds1

About 4-iodo-5-methoxy-2-methylphenol

4-iodo-5-methoxy-2-methylphenol (PubChem CID 166815772) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 4-iodo-5-methoxy-2-methylphenol.

Molecular Properties

Compound Name4-iodo-5-methoxy-2-methylphenol
PubChem CID166815772
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name4-iodo-5-methoxy-2-methylphenol
SMILESCOc1cc(O)c(C)cc1I
InChIInChI=1S/C8H9IO2/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4,10H,1-2H3
InChIKeyJCSJWCJFXPGQOO-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methoxy-2-methylphenol?
The IUPAC name of 4-iodo-5-methoxy-2-methylphenol (CID 166815772) is 4-iodo-5-methoxy-2-methylphenol.
What is the SMILES notation for 4-iodo-5-methoxy-2-methylphenol?
The canonical SMILES for 4-iodo-5-methoxy-2-methylphenol is COc1cc(O)c(C)cc1I.
What is the InChIKey of 4-iodo-5-methoxy-2-methylphenol?
The InChIKey is JCSJWCJFXPGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4,10H,1-2H3.
What are the key properties of 4-iodo-5-methoxy-2-methylphenol?
4-iodo-5-methoxy-2-methylphenol has a molecular weight of 264.06 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methoxy-2-methylphenol is sourced from PubChem (CID 166815772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).