1-(2-ethoxy-4-iodophenyl)ethanone

C10H11IO2 — CID 170996658

IUPAC1-(2-ethoxy-4-iodophenyl)ethanone
SMILESCCOc1cc(I)ccc1C(C)=O
InChIInChI=1S/C10H11IO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-6H,3H2,1-2H3
InChIKeyUMSOUDPBPANNKE-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-ethoxy-4-iodophenyl)ethanone

1-(2-ethoxy-4-iodophenyl)ethanone (PubChem CID 170996658) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 1-(2-ethoxy-4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-4-iodophenyl)ethanone
PubChem CID170996658
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name1-(2-ethoxy-4-iodophenyl)ethanone
SMILESCCOc1cc(I)ccc1C(C)=O
InChIInChI=1S/C10H11IO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-6H,3H2,1-2H3
InChIKeyUMSOUDPBPANNKE-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
benzyl 2-ethoxy-4-iodobenzoate
CID 154376302
1-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
CID 131310771
methyl 2-(2-ethoxy-2-oxoethoxy)-4-iodobenzoate
CID 67324883
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764
1-(2-ethoxy-5-iodo-4-nitrophenyl)ethanone
CID 171033703

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-iodophenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-4-iodophenyl)ethanone (CID 170996658) is 1-(2-ethoxy-4-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-4-iodophenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-4-iodophenyl)ethanone is CCOc1cc(I)ccc1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-4-iodophenyl)ethanone?
The InChIKey is UMSOUDPBPANNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-3-13-10-6-8(11)4-5-9(10)7(2)12/h4-6H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-4-iodophenyl)ethanone?
1-(2-ethoxy-4-iodophenyl)ethanone has a molecular weight of 290.10 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-iodophenyl)ethanone is sourced from PubChem (CID 170996658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).