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

C12H15IO2 — CID 43798719

IUPAC1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H15IO2/c1-9(2)7-15-8-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyLKLGIWPDSQRSKO-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.15
Rot. Bonds5

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

1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone (PubChem CID 43798719) has the molecular formula C12H15IO2 and a molecular weight of 318.15 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone
PubChem CID43798719
Molecular FormulaC12H15IO2
Molecular Weight318.15 g/mol
Exact Mass318.01
IUPAC Name1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)c1ccc(I)cc1
InChIInChI=1S/C12H15IO2/c1-9(2)7-15-8-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyLKLGIWPDSQRSKO-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.15
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-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448325
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
2-(2-methylpentoxy)-1-phenylethanone
CID 103284390
2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43798558
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
2-phenacyloxy-1-phenylethanone
CID 12781821
2-fluoro-1-(4-iodophenyl)ethanone
CID 87150711
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
1-(4-iodophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796160
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone (CID 43798719) is 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone is CC(C)COCC(=O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone?
The InChIKey is LKLGIWPDSQRSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO2/c1-9(2)7-15-8-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone?
1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone has a molecular weight of 318.15 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-(2-methylpropoxy)ethanone is sourced from PubChem (CID 43798719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).