6-[(3-iodophenyl)methoxy]-1-benzofuran

C15H11IO2 — CID 59010068

IUPAC6-[(3-iodophenyl)methoxy]-1-benzofuran
SMILESIc1cccc(COc2ccc3ccoc3c2)c1
InChIInChI=1S/C15H11IO2/c16-13-3-1-2-11(8-13)10-18-14-5-4-12-6-7-17-15(12)9-14/h1-9H,10H2
InChIKeyNVLCZXIRAANGHE-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.62
Rot. Bonds3

About 6-[(3-iodophenyl)methoxy]-1-benzofuran

6-[(3-iodophenyl)methoxy]-1-benzofuran (PubChem CID 59010068) has the molecular formula C15H11IO2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 6-[(3-iodophenyl)methoxy]-1-benzofuran.

Molecular Properties

Compound Name6-[(3-iodophenyl)methoxy]-1-benzofuran
PubChem CID59010068
Molecular FormulaC15H11IO2
Molecular Weight350.16 g/mol
Exact Mass349.98
IUPAC Name6-[(3-iodophenyl)methoxy]-1-benzofuran
SMILESIc1cccc(COc2ccc3ccoc3c2)c1
InChIInChI=1S/C15H11IO2/c16-13-3-1-2-11(8-13)10-18-14-5-4-12-6-7-17-15(12)9-14/h1-9H,10H2
InChIKeyNVLCZXIRAANGHE-UHFFFAOYSA-N
XLogP4.62
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzofuran-6-yloxymethyl)benzoic acid
CID 155153911
1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864314
1-[2-bromo-4-[(3-iodophenyl)methoxy]phenyl]ethanone
CID 91863535
(3-iodophenyl)methyl hypoiodite
CID 167240125
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
4-phenylmethoxypyran-2-one
CID 16637546
4-[(3-iodophenoxy)methyl]aniline
CID 43144814
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
6-(propan-2-yloxymethyl)-1-benzofuran
CID 171518537
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
4-[[4-[(3-iodophenyl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4152824

Frequently Asked Questions

What is the IUPAC name of 6-[(3-iodophenyl)methoxy]-1-benzofuran?
The IUPAC name of 6-[(3-iodophenyl)methoxy]-1-benzofuran (CID 59010068) is 6-[(3-iodophenyl)methoxy]-1-benzofuran.
What is the SMILES notation for 6-[(3-iodophenyl)methoxy]-1-benzofuran?
The canonical SMILES for 6-[(3-iodophenyl)methoxy]-1-benzofuran is Ic1cccc(COc2ccc3ccoc3c2)c1.
What is the InChIKey of 6-[(3-iodophenyl)methoxy]-1-benzofuran?
The InChIKey is NVLCZXIRAANGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IO2/c16-13-3-1-2-11(8-13)10-18-14-5-4-12-6-7-17-15(12)9-14/h1-9H,10H2.
What are the key properties of 6-[(3-iodophenyl)methoxy]-1-benzofuran?
6-[(3-iodophenyl)methoxy]-1-benzofuran has a molecular weight of 350.16 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-iodophenyl)methoxy]-1-benzofuran is sourced from PubChem (CID 59010068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).