4-iodo-2-methoxyphenol

C7H7IO2 — CID 10106127

IUPAC4-iodo-2-methoxyphenol
SMILESCOc1cc(I)ccc1O
InChIInChI=1S/C7H7IO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyKJXYWMSTOWBZHC-UHFFFAOYSA-N
MW250.03 g/mol
LogP2.01
Rot. Bonds1

About 4-iodo-2-methoxyphenol

4-iodo-2-methoxyphenol (PubChem CID 10106127) has the molecular formula C7H7IO2 and a molecular weight of 250.03 g/mol. Its IUPAC name is 4-iodo-2-methoxyphenol.

Molecular Properties

Compound Name4-iodo-2-methoxyphenol
PubChem CID10106127
Molecular FormulaC7H7IO2
Molecular Weight250.03 g/mol
Exact Mass249.95
IUPAC Name4-iodo-2-methoxyphenol
SMILESCOc1cc(I)ccc1O
InChIInChI=1S/C7H7IO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKeyKJXYWMSTOWBZHC-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.03
LogP ≤ 52.01
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-2-methoxyphenol?
The IUPAC name of 4-iodo-2-methoxyphenol (CID 10106127) is 4-iodo-2-methoxyphenol.
What is the SMILES notation for 4-iodo-2-methoxyphenol?
The canonical SMILES for 4-iodo-2-methoxyphenol is COc1cc(I)ccc1O.
What is the InChIKey of 4-iodo-2-methoxyphenol?
The InChIKey is KJXYWMSTOWBZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3.
What are the key properties of 4-iodo-2-methoxyphenol?
4-iodo-2-methoxyphenol has a molecular weight of 250.03 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methoxyphenol is sourced from PubChem (CID 10106127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).