1-iodo-6-methyldibenzofuran

C13H9IO — CID 137496766

IUPAC1-iodo-6-methyldibenzofuran
SMILESCc1cccc2c1oc1cccc(I)c12
InChIInChI=1S/C13H9IO/c1-8-4-2-5-9-12-10(14)6-3-7-11(12)15-13(8)9/h2-7H,1H3
InChIKeyAONYIRAHDWFRSG-UHFFFAOYSA-N
MW308.12 g/mol
LogP4.50
Rot. Bonds

About 1-iodo-6-methyldibenzofuran

1-iodo-6-methyldibenzofuran (PubChem CID 137496766) has the molecular formula C13H9IO and a molecular weight of 308.12 g/mol. Its IUPAC name is 1-iodo-6-methyldibenzofuran.

Molecular Properties

Compound Name1-iodo-6-methyldibenzofuran
PubChem CID137496766
Molecular FormulaC13H9IO
Molecular Weight308.12 g/mol
Exact Mass307.97
IUPAC Name1-iodo-6-methyldibenzofuran
SMILESCc1cccc2c1oc1cccc(I)c12
InChIInChI=1S/C13H9IO/c1-8-4-2-5-9-12-10(14)6-3-7-11(12)15-13(8)9/h2-7H,1H3
InChIKeyAONYIRAHDWFRSG-UHFFFAOYSA-N
XLogP4.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 54.50
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-fluoro-4,6-dimethyldibenzofuran
CID 141212503
1,3-dichloro-6-methyldibenzofuran
CID 526434
3,6-dimethyldibenzofuran;ethane
CID 142097287
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
8-iodo-4-methylchromen-2-one
CID 130067017
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918751
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
1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran
CID 161173227

Frequently Asked Questions

What is the IUPAC name of 1-iodo-6-methyldibenzofuran?
The IUPAC name of 1-iodo-6-methyldibenzofuran (CID 137496766) is 1-iodo-6-methyldibenzofuran.
What is the SMILES notation for 1-iodo-6-methyldibenzofuran?
The canonical SMILES for 1-iodo-6-methyldibenzofuran is Cc1cccc2c1oc1cccc(I)c12.
What is the InChIKey of 1-iodo-6-methyldibenzofuran?
The InChIKey is AONYIRAHDWFRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IO/c1-8-4-2-5-9-12-10(14)6-3-7-11(12)15-13(8)9/h2-7H,1H3.
What are the key properties of 1-iodo-6-methyldibenzofuran?
1-iodo-6-methyldibenzofuran has a molecular weight of 308.12 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-6-methyldibenzofuran is sourced from PubChem (CID 137496766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).