2-iodo-5-propyl-1-benzofuran

C11H11IO — CID 86051258

IUPAC2-iodo-5-propyl-1-benzofuran
SMILESCCCc1ccc2oc(I)cc2c1
InChIInChI=1S/C11H11IO/c1-2-3-8-4-5-10-9(6-8)7-11(12)13-10/h4-7H,2-3H2,1H3
InChIKeyVUVUOTKQZZGDJZ-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.99
Rot. Bonds2

About 2-iodo-5-propyl-1-benzofuran

2-iodo-5-propyl-1-benzofuran (PubChem CID 86051258) has the molecular formula C11H11IO and a molecular weight of 286.11 g/mol. Its IUPAC name is 2-iodo-5-propyl-1-benzofuran.

Molecular Properties

Compound Name2-iodo-5-propyl-1-benzofuran
PubChem CID86051258
Molecular FormulaC11H11IO
Molecular Weight286.11 g/mol
Exact Mass285.99
IUPAC Name2-iodo-5-propyl-1-benzofuran
SMILESCCCc1ccc2oc(I)cc2c1
InChIInChI=1S/C11H11IO/c1-2-3-8-4-5-10-9(6-8)7-11(12)13-10/h4-7H,2-3H2,1H3
InChIKeyVUVUOTKQZZGDJZ-UHFFFAOYSA-N
XLogP3.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.99
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-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611
5-propyl-1-benzofuran-2-carbonitrile
CID 62550129
1-(5-propyl-1-benzofuran-2-yl)ethanone
CID 65428226
5-chloro-2-iodo-1-benzofuran
CID 147151831
(2-iodo-1-benzofuran-5-yl)chloranium
CID 147151830
5-propyl-1,3-benzoxazol-2-amine
CID 62548389
6,18-dipropyl-10,14-dioxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 132605895
2-propyl-1-benzofuran-5-amine
CID 22132951
2-iodo-7-propylphenanthrene
CID 22044694
2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine
CID 84683071
2-butyl-6-propylnaphthalene
CID 58232616
2-(2-bromo-1-benzofuran-5-yl)ethanamine
CID 83898777

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-propyl-1-benzofuran?
The IUPAC name of 2-iodo-5-propyl-1-benzofuran (CID 86051258) is 2-iodo-5-propyl-1-benzofuran.
What is the SMILES notation for 2-iodo-5-propyl-1-benzofuran?
The canonical SMILES for 2-iodo-5-propyl-1-benzofuran is CCCc1ccc2oc(I)cc2c1.
What is the InChIKey of 2-iodo-5-propyl-1-benzofuran?
The InChIKey is VUVUOTKQZZGDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO/c1-2-3-8-4-5-10-9(6-8)7-11(12)13-10/h4-7H,2-3H2,1H3.
What are the key properties of 2-iodo-5-propyl-1-benzofuran?
2-iodo-5-propyl-1-benzofuran has a molecular weight of 286.11 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-propyl-1-benzofuran is sourced from PubChem (CID 86051258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).