(8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane

C16H17IO — CID 163691105

IUPAC(8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane
SMILESCCc1ccc2oc3cc(I(C)C)ccc3c2c1
InChIInChI=1S/C16H17IO/c1-4-11-5-8-15-14(9-11)13-7-6-12(17(2)3)10-16(13)18-15/h5-10H,4H2,1-3H3
InChIKeyJTAFRSULAJDYAQ-UHFFFAOYSA-N
MW352.22 g/mol
LogP5.08
Rot. Bonds2

About (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane

(8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane (PubChem CID 163691105) has the molecular formula C16H17IO and a molecular weight of 352.22 g/mol. Its IUPAC name is (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane.

Molecular Properties

Compound Name(8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane
PubChem CID163691105
Molecular FormulaC16H17IO
Molecular Weight352.22 g/mol
Exact Mass352.03
IUPAC Name(8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane
SMILESCCc1ccc2oc3cc(I(C)C)ccc3c2c1
InChIInChI=1S/C16H17IO/c1-4-11-5-8-15-14(9-11)13-7-6-12(17(2)3)10-16(13)18-15/h5-10H,4H2,1-3H3
InChIKeyJTAFRSULAJDYAQ-UHFFFAOYSA-N
XLogP5.08
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyldibenzofuran
CID 58510747
7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran
CID 121287192
carbanide;6,18-diethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-diethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;ethane;6-ethyl-18-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;7-ethyl-16-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;hexadecakis(yttrium)
CID 161346794
2-(8-ethyldibenzofuran-2-yl)propan-2-ol
CID 163920866
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
CID 159327549
8,22-diethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 118153192
1,7-diethyldibenzofuran
CID 135251716
2-[4-[7-(4-ethylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170293807
6-ethyl-2,3-dimethyl-1-benzofuran
CID 121007663
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
17-ethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117321
6-ethyl-2-phenylchromen-4-one
CID 10999458

Frequently Asked Questions

What is the IUPAC name of (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane?
The IUPAC name of (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane (CID 163691105) is (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane.
What is the SMILES notation for (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane?
The canonical SMILES for (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane is CCc1ccc2oc3cc(I(C)C)ccc3c2c1.
What is the InChIKey of (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane?
The InChIKey is JTAFRSULAJDYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IO/c1-4-11-5-8-15-14(9-11)13-7-6-12(17(2)3)10-16(13)18-15/h5-10H,4H2,1-3H3.
What are the key properties of (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane?
(8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane has a molecular weight of 352.22 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyldibenzofuran-3-yl)-dimethyl-λ3-iodane is sourced from PubChem (CID 163691105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).