2-iodo-7-methoxy-1-benzofuran

C9H7IO2 — CID 147263066

IUPAC2-iodo-7-methoxy-1-benzofuran
SMILESCOc1cccc2cc(I)oc12
InChIInChI=1S/C9H7IO2/c1-11-7-4-2-3-6-5-8(10)12-9(6)7/h2-5H,1H3
InChIKeyCOYGTOMWUBXBQQ-UHFFFAOYSA-N
MW274.06 g/mol
LogP3.05
Rot. Bonds1

About 2-iodo-7-methoxy-1-benzofuran

2-iodo-7-methoxy-1-benzofuran (PubChem CID 147263066) has the molecular formula C9H7IO2 and a molecular weight of 274.06 g/mol. Its IUPAC name is 2-iodo-7-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-iodo-7-methoxy-1-benzofuran
PubChem CID147263066
Molecular FormulaC9H7IO2
Molecular Weight274.06 g/mol
Exact Mass273.95
IUPAC Name2-iodo-7-methoxy-1-benzofuran
SMILESCOc1cccc2cc(I)oc12
InChIInChI=1S/C9H7IO2/c1-11-7-4-2-3-6-5-8(10)12-9(6)7/h2-5H,1H3
InChIKeyCOYGTOMWUBXBQQ-UHFFFAOYSA-N
XLogP3.05
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 53.05
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

2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 1489109
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
8-methoxy-3-phenylchromen-2-one
CID 2195449
(1R)-1-(7-methoxy-1-benzofuran-2-yl)butan-1-amine
CID 165461151

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7-methoxy-1-benzofuran?
The IUPAC name of 2-iodo-7-methoxy-1-benzofuran (CID 147263066) is 2-iodo-7-methoxy-1-benzofuran.
What is the SMILES notation for 2-iodo-7-methoxy-1-benzofuran?
The canonical SMILES for 2-iodo-7-methoxy-1-benzofuran is COc1cccc2cc(I)oc12.
What is the InChIKey of 2-iodo-7-methoxy-1-benzofuran?
The InChIKey is COYGTOMWUBXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO2/c1-11-7-4-2-3-6-5-8(10)12-9(6)7/h2-5H,1H3.
What are the key properties of 2-iodo-7-methoxy-1-benzofuran?
2-iodo-7-methoxy-1-benzofuran has a molecular weight of 274.06 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-methoxy-1-benzofuran is sourced from PubChem (CID 147263066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).