3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran

C16H13IO3 — CID 50943995

IUPAC3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3cc(OC)ccc3c2I)cc1
InChIInChI=1S/C16H13IO3/c1-18-11-5-3-10(4-6-11)16-15(17)13-8-7-12(19-2)9-14(13)20-16/h3-9H,1-2H3
InChIKeyGJYCDEUXWVWWLP-UHFFFAOYSA-N
MW380.18 g/mol
LogP4.72
Rot. Bonds3

About 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran

3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran (PubChem CID 50943995) has the molecular formula C16H13IO3 and a molecular weight of 380.18 g/mol. Its IUPAC name is 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran
PubChem CID50943995
Molecular FormulaC16H13IO3
Molecular Weight380.18 g/mol
Exact Mass379.99
IUPAC Name3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3cc(OC)ccc3c2I)cc1
InChIInChI=1S/C16H13IO3/c1-18-11-5-3-10(4-6-11)16-15(17)13-8-7-12(19-2)9-14(13)20-16/h3-9H,1-2H3
InChIKeyGJYCDEUXWVWWLP-UHFFFAOYSA-N
XLogP4.72
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-6-methoxy-2-(4-methoxyphenyl)furo[3,2-b]pyridine
CID 59200646
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
3-(4-bromobutoxy)-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171061266
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
3-hydroxy-6-iodo-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171355593
7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853
2,4-diiodo-6-methoxy-3-oxoxanthene-9-carbonitrile
CID 86184565
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran (CID 50943995) is 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran is COc1ccc(-c2oc3cc(OC)ccc3c2I)cc1.
What is the InChIKey of 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
The InChIKey is GJYCDEUXWVWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IO3/c1-18-11-5-3-10(4-6-11)16-15(17)13-8-7-12(19-2)9-14(13)20-16/h3-9H,1-2H3.
What are the key properties of 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran has a molecular weight of 380.18 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 50943995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).