4-(iodomethyl)-2-methoxyphenol

C8H9IO2 — CID 15255516

IUPAC4-(iodomethyl)-2-methoxyphenol
SMILESCOc1cc(CI)ccc1O
InChIInChI=1S/C8H9IO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5H2,1H3
InChIKeyLMFOSCIADOCCLX-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.34
Rot. Bonds2

About 4-(iodomethyl)-2-methoxyphenol

4-(iodomethyl)-2-methoxyphenol (PubChem CID 15255516) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 4-(iodomethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(iodomethyl)-2-methoxyphenol
PubChem CID15255516
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name4-(iodomethyl)-2-methoxyphenol
SMILESCOc1cc(CI)ccc1O
InChIInChI=1S/C8H9IO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5H2,1H3
InChIKeyLMFOSCIADOCCLX-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
4-[(4-chlorophenyl)methyl]-2-methoxyphenol
CID 174578571
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-2-methoxyphenol?
The IUPAC name of 4-(iodomethyl)-2-methoxyphenol (CID 15255516) is 4-(iodomethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(iodomethyl)-2-methoxyphenol?
The canonical SMILES for 4-(iodomethyl)-2-methoxyphenol is COc1cc(CI)ccc1O.
What is the InChIKey of 4-(iodomethyl)-2-methoxyphenol?
The InChIKey is LMFOSCIADOCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5H2,1H3.
What are the key properties of 4-(iodomethyl)-2-methoxyphenol?
4-(iodomethyl)-2-methoxyphenol has a molecular weight of 264.06 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-2-methoxyphenol is sourced from PubChem (CID 15255516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).