1-[2-(2-iodoethoxy)phenyl]ethanone

C10H11IO2 — CID 64788575

IUPAC1-[2-(2-iodoethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCI
InChIInChI=1S/C10H11IO2/c1-8(12)9-4-2-3-5-10(9)13-7-6-11/h2-5H,6-7H2,1H3
InChIKeyNYPKFYJUQFQBCP-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-(2-iodoethoxy)phenyl]ethanone

1-[2-(2-iodoethoxy)phenyl]ethanone (PubChem CID 64788575) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 1-[2-(2-iodoethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-iodoethoxy)phenyl]ethanone
PubChem CID64788575
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name1-[2-(2-iodoethoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCI
InChIInChI=1S/C10H11IO2/c1-8(12)9-4-2-3-5-10(9)13-7-6-11/h2-5H,6-7H2,1H3
InChIKeyNYPKFYJUQFQBCP-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
CID 63565850
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-iodoethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(2-iodoethoxy)phenyl]ethanone (CID 64788575) is 1-[2-(2-iodoethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-iodoethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-iodoethoxy)phenyl]ethanone is CC(=O)c1ccccc1OCCI.
What is the InChIKey of 1-[2-(2-iodoethoxy)phenyl]ethanone?
The InChIKey is NYPKFYJUQFQBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-8(12)9-4-2-3-5-10(9)13-7-6-11/h2-5H,6-7H2,1H3.
What are the key properties of 1-[2-(2-iodoethoxy)phenyl]ethanone?
1-[2-(2-iodoethoxy)phenyl]ethanone has a molecular weight of 290.10 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-iodoethoxy)phenyl]ethanone is sourced from PubChem (CID 64788575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).