1-[4-(2-iodoethyl)phenyl]-2-phenylethanone

C16H15IO — CID 20645066

IUPAC1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(CCI)cc1
InChIInChI=1S/C16H15IO/c17-11-10-13-6-8-15(9-7-13)16(18)12-14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyUSSYGGLXIUMHCY-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone

1-[4-(2-iodoethyl)phenyl]-2-phenylethanone (PubChem CID 20645066) has the molecular formula C16H15IO and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
PubChem CID20645066
Molecular FormulaC16H15IO
Molecular Weight350.20 g/mol
Exact Mass350.02
IUPAC Name1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(CCI)cc1
InChIInChI=1S/C16H15IO/c17-11-10-13-6-8-15(9-7-13)16(18)12-14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyUSSYGGLXIUMHCY-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenacylbenzoyl iodide
CID 142013538
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide
CID 22461794
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
2-iodoethylbenzene;zinc
CID 70126598
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
CID 58506375

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone (CID 20645066) is 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(CCI)cc1.
What is the InChIKey of 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone?
The InChIKey is USSYGGLXIUMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO/c17-11-10-13-6-8-15(9-7-13)16(18)12-14-4-2-1-3-5-14/h1-9H,10-12H2.
What are the key properties of 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone?
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone has a molecular weight of 350.20 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-iodoethyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 20645066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).