ethane;1-(4-iodophenyl)ethanone

C10H13IO — CID 159760217

IUPACethane;1-(4-iodophenyl)ethanone
SMILESCC.CC(=O)c1ccc(I)cc1
InChIInChI=1S/C8H7IO.C2H6/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2-5H,1H3;1-2H3
InChIKeyNETWGSJWZBTUQT-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.52
Rot. Bonds1

About ethane;1-(4-iodophenyl)ethanone

ethane;1-(4-iodophenyl)ethanone (PubChem CID 159760217) has the molecular formula C10H13IO and a molecular weight of 276.12 g/mol. Its IUPAC name is ethane;1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-iodophenyl)ethanone
PubChem CID159760217
Molecular FormulaC10H13IO
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Nameethane;1-(4-iodophenyl)ethanone
SMILESCC.CC(=O)c1ccc(I)cc1
InChIInChI=1S/C8H7IO.C2H6/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2-5H,1H3;1-2H3
InChIKeyNETWGSJWZBTUQT-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;1-(4-iodophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-(4-iodophenyl)ethanone;1-(4-iodophenyl)ethanone
CID 159611000
1-[4-(4-iodophenyl)sulfanylphenyl]ethanone
CID 71026335
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-acetyl(11C)benzoic acid
CID 11205952
4-iodobenzoic acid;nickel
CID 54603201
1-(4-arsanylphenyl)ethanone
CID 173138956
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
ethane;1-phenylethanone;propan-2-one
CID 91456675
(E)-3-(4-iodophenyl)but-2-enoic acid
CID 131527312

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-iodophenyl)ethanone?
The IUPAC name of ethane;1-(4-iodophenyl)ethanone (CID 159760217) is ethane;1-(4-iodophenyl)ethanone.
What is the SMILES notation for ethane;1-(4-iodophenyl)ethanone?
The canonical SMILES for ethane;1-(4-iodophenyl)ethanone is CC.CC(=O)c1ccc(I)cc1.
What is the InChIKey of ethane;1-(4-iodophenyl)ethanone?
The InChIKey is NETWGSJWZBTUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO.C2H6/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;1-(4-iodophenyl)ethanone?
ethane;1-(4-iodophenyl)ethanone has a molecular weight of 276.12 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-iodophenyl)ethanone is sourced from PubChem (CID 159760217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).