4-phenacylbenzoyl iodide

C15H11IO2 — CID 142013538

IUPAC4-phenacylbenzoyl iodide
SMILESO=C(I)c1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11IO2/c16-15(18)13-8-6-11(7-9-13)10-14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyIRKWMTSUBNKNHF-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.69
Rot. Bonds4

About 4-phenacylbenzoyl iodide

4-phenacylbenzoyl iodide (PubChem CID 142013538) has the molecular formula C15H11IO2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-phenacylbenzoyl iodide.

Molecular Properties

Compound Name4-phenacylbenzoyl iodide
PubChem CID142013538
Molecular FormulaC15H11IO2
Molecular Weight350.16 g/mol
Exact Mass349.98
IUPAC Name4-phenacylbenzoyl iodide
SMILESO=C(I)c1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11IO2/c16-15(18)13-8-6-11(7-9-13)10-14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyIRKWMTSUBNKNHF-UHFFFAOYSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596
2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(3-iodophenyl)-2-phenylethanone
CID 24723883
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
CID 63199057

Frequently Asked Questions

What is the IUPAC name of 4-phenacylbenzoyl iodide?
The IUPAC name of 4-phenacylbenzoyl iodide (CID 142013538) is 4-phenacylbenzoyl iodide.
What is the SMILES notation for 4-phenacylbenzoyl iodide?
The canonical SMILES for 4-phenacylbenzoyl iodide is O=C(I)c1ccc(CC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-phenacylbenzoyl iodide?
The InChIKey is IRKWMTSUBNKNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IO2/c16-15(18)13-8-6-11(7-9-13)10-14(17)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 4-phenacylbenzoyl iodide?
4-phenacylbenzoyl iodide has a molecular weight of 350.16 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenacylbenzoyl iodide is sourced from PubChem (CID 142013538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).