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

C15H13IO — CID 43160312

IUPAC1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13IO/c1-11-4-2-3-5-13(11)10-15(17)12-6-8-14(16)9-7-12/h2-9H,10H2,1H3
InChIKeyWRVFPEMYIKTPBU-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.03
Rot. Bonds3

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

1-(4-iodophenyl)-2-(2-methylphenyl)ethanone (PubChem CID 43160312) has the molecular formula C15H13IO and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
PubChem CID43160312
Molecular FormulaC15H13IO
Molecular Weight336.17 g/mol
Exact Mass336.00
IUPAC Name1-(4-iodophenyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13IO/c1-11-4-2-3-5-13(11)10-15(17)12-6-8-14(16)9-7-12/h2-9H,10H2,1H3
InChIKeyWRVFPEMYIKTPBU-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
CID 9104803
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
CID 107311673
1-(4-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966101
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(2-methylphenyl)acetic acid
CID 67440217
2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
1-iodo-4-[(2-methylphenyl)methyl]benzene
CID 67085401

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone (CID 43160312) is 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone?
The InChIKey is WRVFPEMYIKTPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO/c1-11-4-2-3-5-13(11)10-15(17)12-6-8-14(16)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone?
1-(4-iodophenyl)-2-(2-methylphenyl)ethanone has a molecular weight of 336.17 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 43160312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).