1-(4-iodophenyl)-3-phenylpropan-1-one

C15H13IO — CID 43160297

IUPAC1-(4-iodophenyl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C15H13IO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyRUDZBGMIYWXALZ-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.11
Rot. Bonds4

About 1-(4-iodophenyl)-3-phenylpropan-1-one

1-(4-iodophenyl)-3-phenylpropan-1-one (PubChem CID 43160297) has the molecular formula C15H13IO and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-phenylpropan-1-one
PubChem CID43160297
Molecular FormulaC15H13IO
Molecular Weight336.17 g/mol
Exact Mass336.00
IUPAC Name1-(4-iodophenyl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C15H13IO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
InChIKeyRUDZBGMIYWXALZ-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.11
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

1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
1,6-diphenylhexane-1,4-dione
CID 70896086
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
1-(5-methylthiophen-3-yl)-3-phenylpropan-1-one
CID 58514679
1-(4-iodophenyl)-5-phenoxypentan-1-one
CID 86194293
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-iodophenyl)-3-phenylpropan-1-one (CID 43160297) is 1-(4-iodophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-iodophenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-iodophenyl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-phenylpropan-1-one?
The InChIKey is RUDZBGMIYWXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2.
What are the key properties of 1-(4-iodophenyl)-3-phenylpropan-1-one?
1-(4-iodophenyl)-3-phenylpropan-1-one has a molecular weight of 336.17 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 43160297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).