(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one

C15H13IO — CID 135054881

IUPAC(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C15H13IO/c1-11(12-7-9-14(16)10-8-12)15(17)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m1/s1
InChIKeyZXUOHPMTJWMYLF-LLVKDONJSA-N
MW336.17 g/mol
LogP4.28
Rot. Bonds3

About (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one

(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one (PubChem CID 135054881) has the molecular formula C15H13IO and a molecular weight of 336.17 g/mol. Its IUPAC name is (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
PubChem CID135054881
Molecular FormulaC15H13IO
Molecular Weight336.17 g/mol
Exact Mass336.00
IUPAC Name(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C15H13IO/c1-11(12-7-9-14(16)10-8-12)15(17)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m1/s1
InChIKeyZXUOHPMTJWMYLF-LLVKDONJSA-N
XLogP4.28
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 ≤ 54.28
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

4-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 102174990
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
CID 172756921
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
2-bromo-1-(4-iodophenyl)-2-phenylethanone
CID 14067171
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
1,2-diphenylpropan-1-one;ethane;1-ethyl-4-methylbenzene;dihydrate
CID 144999530
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
methyl 3-(4-iodophenyl)-3-phenylpropanoate
CID 23729956
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one?
The IUPAC name of (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one (CID 135054881) is (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one?
The canonical SMILES for (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one is C[C@@H](C(=O)c1ccccc1)c1ccc(I)cc1.
What is the InChIKey of (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one?
The InChIKey is ZXUOHPMTJWMYLF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13IO/c1-11(12-7-9-14(16)10-8-12)15(17)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one?
(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one has a molecular weight of 336.17 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-iodophenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 135054881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).