7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran

C11H11IO — CID 155450496

IUPAC7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran
SMILESC=C1OC(C)(C)c2c(I)cccc21
InChIInChI=1S/C11H11IO/c1-7-8-5-4-6-9(12)10(8)11(2,3)13-7/h4-6H,1H2,2-3H3
InChIKeyUVCMTGXLMBXOGH-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.53
Rot. Bonds

About 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran

7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran (PubChem CID 155450496) has the molecular formula C11H11IO and a molecular weight of 286.11 g/mol. Its IUPAC name is 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran.

Molecular Properties

Compound Name7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran
PubChem CID155450496
Molecular FormulaC11H11IO
Molecular Weight286.11 g/mol
Exact Mass285.99
IUPAC Name7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran
SMILESC=C1OC(C)(C)c2c(I)cccc21
InChIInChI=1S/C11H11IO/c1-7-8-5-4-6-9(12)10(8)11(2,3)13-7/h4-6H,1H2,2-3H3
InChIKeyUVCMTGXLMBXOGH-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1-iodo-9,9-dimethylfluorene
CID 139958810
4,5-diiodo-9,9-dimethylxanthene
CID 10813897
1'-iodospiro[cyclohexane-1,9'-fluorene]
CID 142567554
2-(2,6-diiodophenyl)-1,3-diiodobenzene
CID 91384938
1,2,3-triiodobenzene
CID 139071365
(7S)-2-chloro-7-ethyl-7-methylfuro[3,4-b]pyridin-5-one;(7R)-2-chloro-7-ethyl-7-methyl-5-methylidenefuro[3,4-b]pyridine;methane
CID 167641234
2-(3-iodo-2-phenylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 133052544
1-iodobiphenylene
CID 23220849
1,1,8-trimethyl-3,4-diphenylisochromene
CID 122214732
9-methylfluorene-9-carbonyl chloride
CID 71479590
3',6'-dihydroxy-1',2',4,4',5',7',8'-heptaiodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 142907383
(2,6-diiodophenoxy)-trimethylsilane
CID 167715889

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran?
The IUPAC name of 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran (CID 155450496) is 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran.
What is the SMILES notation for 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran?
The canonical SMILES for 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran is C=C1OC(C)(C)c2c(I)cccc21.
What is the InChIKey of 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran?
The InChIKey is UVCMTGXLMBXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO/c1-7-8-5-4-6-9(12)10(8)11(2,3)13-7/h4-6H,1H2,2-3H3.
What are the key properties of 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran?
7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran has a molecular weight of 286.11 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1,1-dimethyl-3-methylidene-2-benzofuran is sourced from PubChem (CID 155450496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).