acetaldehyde;iodobenzene

C8H9IO — CID 159105616

IUPACacetaldehyde;iodobenzene
SMILESCC=O.Ic1ccccc1
InChIInChI=1S/C6H5I.C2H4O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;2H,1H3
InChIKeyKDVNAKYPNRKDBM-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.50
Rot. Bonds

About acetaldehyde;iodobenzene

acetaldehyde;iodobenzene (PubChem CID 159105616) has the molecular formula C8H9IO and a molecular weight of 248.06 g/mol. Its IUPAC name is acetaldehyde;iodobenzene.

Molecular Properties

Compound Nameacetaldehyde;iodobenzene
PubChem CID159105616
Molecular FormulaC8H9IO
Molecular Weight248.06 g/mol
Exact Mass247.97
IUPAC Nameacetaldehyde;iodobenzene
SMILESCC=O.Ic1ccccc1
InChIInChI=1S/C6H5I.C2H4O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;2H,1H3
InChIKeyKDVNAKYPNRKDBM-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;iodobenzene?
The IUPAC name of acetaldehyde;iodobenzene (CID 159105616) is acetaldehyde;iodobenzene.
What is the SMILES notation for acetaldehyde;iodobenzene?
The canonical SMILES for acetaldehyde;iodobenzene is CC=O.Ic1ccccc1.
What is the InChIKey of acetaldehyde;iodobenzene?
The InChIKey is KDVNAKYPNRKDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.C2H4O/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;2H,1H3.
What are the key properties of acetaldehyde;iodobenzene?
acetaldehyde;iodobenzene has a molecular weight of 248.06 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;iodobenzene is sourced from PubChem (CID 159105616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).