1-[4-(iodomethyl)phenyl]propan-2-one

C10H11IO — CID 20596365

IUPAC1-[4-(iodomethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(CI)cc1
InChIInChI=1S/C10H11IO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5H,6-7H2,1H3
InChIKeyUDKOWDZIKWOMSA-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.75
Rot. Bonds3

About 1-[4-(iodomethyl)phenyl]propan-2-one

1-[4-(iodomethyl)phenyl]propan-2-one (PubChem CID 20596365) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-[4-(iodomethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(iodomethyl)phenyl]propan-2-one
PubChem CID20596365
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name1-[4-(iodomethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(CI)cc1
InChIInChI=1S/C10H11IO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5H,6-7H2,1H3
InChIKeyUDKOWDZIKWOMSA-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.75
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

1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
benzene;1-phenylpropan-2-one
CID 21430852
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-(4-propylphenyl)propan-2-one
CID 82490574
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
[4-(2-oxopropyl)phenyl]boronic acid
CID 74788275
silyl 2-[4-(2-oxopropyl)phenyl]acetate
CID 137327494
1-(4-ethenylphenyl)propan-2-one
CID 70398942
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694

Frequently Asked Questions

What is the IUPAC name of 1-[4-(iodomethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(iodomethyl)phenyl]propan-2-one (CID 20596365) is 1-[4-(iodomethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(iodomethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(iodomethyl)phenyl]propan-2-one is CC(=O)Cc1ccc(CI)cc1.
What is the InChIKey of 1-[4-(iodomethyl)phenyl]propan-2-one?
The InChIKey is UDKOWDZIKWOMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-[4-(iodomethyl)phenyl]propan-2-one?
1-[4-(iodomethyl)phenyl]propan-2-one has a molecular weight of 274.10 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(iodomethyl)phenyl]propan-2-one is sourced from PubChem (CID 20596365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).