2-iodo-3,5-dimethyl-1-benzofuran

C10H9IO — CID 163624789

IUPAC2-iodo-3,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(I)c(C)c2c1
InChIInChI=1S/C10H9IO/c1-6-3-4-9-8(5-6)7(2)10(11)12-9/h3-5H,1-2H3
InChIKeyHRCVBHYRGVAOIA-UHFFFAOYSA-N
MW272.08 g/mol
LogP3.65
Rot. Bonds

About 2-iodo-3,5-dimethyl-1-benzofuran

2-iodo-3,5-dimethyl-1-benzofuran (PubChem CID 163624789) has the molecular formula C10H9IO and a molecular weight of 272.08 g/mol. Its IUPAC name is 2-iodo-3,5-dimethyl-1-benzofuran.

Molecular Properties

Compound Name2-iodo-3,5-dimethyl-1-benzofuran
PubChem CID163624789
Molecular FormulaC10H9IO
Molecular Weight272.08 g/mol
Exact Mass271.97
IUPAC Name2-iodo-3,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(I)c(C)c2c1
InChIInChI=1S/C10H9IO/c1-6-3-4-9-8(5-6)7(2)10(11)12-9/h3-5H,1-2H3
InChIKeyHRCVBHYRGVAOIA-UHFFFAOYSA-N
XLogP3.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 53.65
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

1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1-benzofuran
CID 138612128
3-chloro-2,5-dimethyl-1-benzofuran
CID 90163019
actinium;8-methyldibenzofuran-2-ol
CID 18739071
3-iodo-5-methyl-1,2-benzoxazole
CID 130284557
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43394206
(3,5-dimethyl-1-benzofuran-2-yl)sulfamic acid
CID 175046385
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
CID 43505413
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
4,8-dimethyldibenzofuran-1-ol
CID 13310284
7-bromo-2-methyldibenzofuran
CID 142427198

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3,5-dimethyl-1-benzofuran?
The IUPAC name of 2-iodo-3,5-dimethyl-1-benzofuran (CID 163624789) is 2-iodo-3,5-dimethyl-1-benzofuran.
What is the SMILES notation for 2-iodo-3,5-dimethyl-1-benzofuran?
The canonical SMILES for 2-iodo-3,5-dimethyl-1-benzofuran is Cc1ccc2oc(I)c(C)c2c1.
What is the InChIKey of 2-iodo-3,5-dimethyl-1-benzofuran?
The InChIKey is HRCVBHYRGVAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO/c1-6-3-4-9-8(5-6)7(2)10(11)12-9/h3-5H,1-2H3.
What are the key properties of 2-iodo-3,5-dimethyl-1-benzofuran?
2-iodo-3,5-dimethyl-1-benzofuran has a molecular weight of 272.08 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,5-dimethyl-1-benzofuran is sourced from PubChem (CID 163624789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).