1-(3-iodophenyl)-2-phenylethanone

C14H11IO — CID 24723883

IUPAC1-(3-iodophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C14H11IO/c15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyRBJBDLODDSSGNG-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-iodophenyl)-2-phenylethanone

1-(3-iodophenyl)-2-phenylethanone (PubChem CID 24723883) has the molecular formula C14H11IO and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-(3-iodophenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-iodophenyl)-2-phenylethanone
PubChem CID24723883
Molecular FormulaC14H11IO
Molecular Weight322.15 g/mol
Exact Mass321.99
IUPAC Name1-(3-iodophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C14H11IO/c15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyRBJBDLODDSSGNG-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.72
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-(4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 24723952
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1,2-diphenylethanone;diphenylmethanone
CID 141067729
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
1-(2,6-dihydroxyphenyl)-3-(3-iodophenyl)propane-1,3-dione
CID 169097531
4,4,4-trifluoro-1-(3-iodophenyl)butan-1-one
CID 114976562
N-phenyl-3-(2-phenylacetyl)benzamide
CID 162068879
4-phenacylbenzoyl iodide
CID 142013538
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
1-(3-iodophenyl)-3-methylbutan-1-one
CID 114962386
2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone
CID 114967386

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-2-phenylethanone?
The IUPAC name of 1-(3-iodophenyl)-2-phenylethanone (CID 24723883) is 1-(3-iodophenyl)-2-phenylethanone.
What is the SMILES notation for 1-(3-iodophenyl)-2-phenylethanone?
The canonical SMILES for 1-(3-iodophenyl)-2-phenylethanone is O=C(Cc1ccccc1)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-2-phenylethanone?
The InChIKey is RBJBDLODDSSGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO/c15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 1-(3-iodophenyl)-2-phenylethanone?
1-(3-iodophenyl)-2-phenylethanone has a molecular weight of 322.15 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-2-phenylethanone is sourced from PubChem (CID 24723883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).