1-(2-iodophenyl)-2-methoxyethanol

C9H11IO2 — CID 115819112

IUPAC1-(2-iodophenyl)-2-methoxyethanol
SMILESCOCC(O)c1ccccc1I
InChIInChI=1S/C9H11IO2/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6H2,1H3
InChIKeyBVUNEJNNTTUUSS-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.97
Rot. Bonds3

About 1-(2-iodophenyl)-2-methoxyethanol

1-(2-iodophenyl)-2-methoxyethanol (PubChem CID 115819112) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-methoxyethanol
PubChem CID115819112
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name1-(2-iodophenyl)-2-methoxyethanol
SMILESCOCC(O)c1ccccc1I
InChIInChI=1S/C9H11IO2/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6H2,1H3
InChIKeyBVUNEJNNTTUUSS-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodophenyl)-2-propan-2-yloxyethanol
CID 115821533
2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
2-methoxy-1-(2-phenylphenyl)ethanol
CID 146163535
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028149
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
benzene;2-methoxy-1-phenylethanol
CID 174622919
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
CID 115782342
1-(2-iodophenyl)-3-methylpentan-1-ol
CID 115789355
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
1-(2-bromofuran-3-yl)-2-methoxyethanol
CID 106859379

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-methoxyethanol?
The IUPAC name of 1-(2-iodophenyl)-2-methoxyethanol (CID 115819112) is 1-(2-iodophenyl)-2-methoxyethanol.
What is the SMILES notation for 1-(2-iodophenyl)-2-methoxyethanol?
The canonical SMILES for 1-(2-iodophenyl)-2-methoxyethanol is COCC(O)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-2-methoxyethanol?
The InChIKey is BVUNEJNNTTUUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6H2,1H3.
What are the key properties of 1-(2-iodophenyl)-2-methoxyethanol?
1-(2-iodophenyl)-2-methoxyethanol has a molecular weight of 278.09 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-methoxyethanol is sourced from PubChem (CID 115819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).