2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene

C8H7IO — CID 163537485

IUPAC2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILESCc1cccc2c1OC=I2
InChIInChI=1S/C8H7IO/c1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3
InChIKeyDYGARLDTSWQFAZ-UHFFFAOYSA-N
MW246.05 g/mol
LogP2.29
Rot. Bonds

About 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene

2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene (PubChem CID 163537485) has the molecular formula C8H7IO and a molecular weight of 246.05 g/mol. Its IUPAC name is 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene.

Molecular Properties

Compound Name2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene
PubChem CID163537485
Molecular FormulaC8H7IO
Molecular Weight246.05 g/mol
Exact Mass245.95
IUPAC Name2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILESCc1cccc2c1OC=I2
InChIInChI=1S/C8H7IO/c1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3
InChIKeyDYGARLDTSWQFAZ-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene?
The IUPAC name of 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene (CID 163537485) is 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene.
What is the SMILES notation for 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene?
The canonical SMILES for 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene is Cc1cccc2c1OC=I2.
What is the InChIKey of 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene?
The InChIKey is DYGARLDTSWQFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO/c1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3.
What are the key properties of 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene?
2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene has a molecular weight of 246.05 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene is sourced from PubChem (CID 163537485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).