1-(4-bromo-3-chloro-5-iodophenyl)ethanone

C8H5BrClIO — CID 171001104

IUPAC1-(4-bromo-3-chloro-5-iodophenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(Br)c(I)c1
InChIInChI=1S/C8H5BrClIO/c1-4(12)5-2-6(10)8(9)7(11)3-5/h2-3H,1H3
InChIKeyCSVYCFLXFDTMSE-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.91
Rot. Bonds1

About 1-(4-bromo-3-chloro-5-iodophenyl)ethanone

1-(4-bromo-3-chloro-5-iodophenyl)ethanone (PubChem CID 171001104) has the molecular formula C8H5BrClIO and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-5-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-5-iodophenyl)ethanone
PubChem CID171001104
Molecular FormulaC8H5BrClIO
Molecular Weight359.39 g/mol
Exact Mass357.83
IUPAC Name1-(4-bromo-3-chloro-5-iodophenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(Br)c(I)c1
InChIInChI=1S/C8H5BrClIO/c1-4(12)5-2-6(10)8(9)7(11)3-5/h2-3H,1H3
InChIKeyCSVYCFLXFDTMSE-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-iodo-5-methoxyphenyl)ethanone
CID 171002773
5-acetyl-3-chloro-2-iodobenzaldehyde
CID 171002056
1-[3-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227618
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone
CID 71319680
4-acetyl-2-iodo-6-methylbenzonitrile
CID 171025349
1-(2-bromo-5-hydroxy-3-iodophenyl)ethanone
CID 131384007
1-(3-amino-4-hydroxy-5-iodophenyl)ethanone
CID 171026761
1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
CID 82105974
1-(4-azido-3,5-dichlorophenyl)ethanone
CID 54201819
1-(3-bromo-5-fluoro-4-iodophenyl)ethanone
CID 171002379

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-5-iodophenyl)ethanone?
The IUPAC name of 1-(4-bromo-3-chloro-5-iodophenyl)ethanone (CID 171001104) is 1-(4-bromo-3-chloro-5-iodophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chloro-5-iodophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chloro-5-iodophenyl)ethanone is CC(=O)c1cc(Cl)c(Br)c(I)c1.
What is the InChIKey of 1-(4-bromo-3-chloro-5-iodophenyl)ethanone?
The InChIKey is CSVYCFLXFDTMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClIO/c1-4(12)5-2-6(10)8(9)7(11)3-5/h2-3H,1H3.
What are the key properties of 1-(4-bromo-3-chloro-5-iodophenyl)ethanone?
1-(4-bromo-3-chloro-5-iodophenyl)ethanone has a molecular weight of 359.39 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-5-iodophenyl)ethanone is sourced from PubChem (CID 171001104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).