iodo 2-(3-bromophenyl)acetate

C8H6BrIO2 — CID 155449676

IUPACiodo 2-(3-bromophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1)OI
InChIInChI=1S/C8H6BrIO2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2
InChIKeyONYDKTFOVUWVCR-UHFFFAOYSA-N
MW340.94 g/mol
LogP2.88
Rot. Bonds2

About iodo 2-(3-bromophenyl)acetate

iodo 2-(3-bromophenyl)acetate (PubChem CID 155449676) has the molecular formula C8H6BrIO2 and a molecular weight of 340.94 g/mol. Its IUPAC name is iodo 2-(3-bromophenyl)acetate.

Molecular Properties

Compound Nameiodo 2-(3-bromophenyl)acetate
PubChem CID155449676
Molecular FormulaC8H6BrIO2
Molecular Weight340.94 g/mol
Exact Mass339.86
IUPAC Nameiodo 2-(3-bromophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1)OI
InChIInChI=1S/C8H6BrIO2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2
InChIKeyONYDKTFOVUWVCR-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.94
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo 2-(3-bromophenyl)acetate
CID 174910278
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)acetamide
CID 11736027
3-(3-bromophenyl)propanoyl chloride
CID 12607235
bis[(3-bromophenyl)methyl] pentanedioate
CID 91708477
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
iodo 2-naphthalen-2-ylacetate
CID 129274840
2-piperidin-1-ium-4-ylpropan-2-yl 2-(3-bromophenyl)acetate
CID 167314674
methyl 4-[2-(3-bromophenyl)acetyl]oxybenzoate
CID 60619120
benzyl 4-(3-bromophenyl)-3-oxobutanoate
CID 11566421
1-(3-bromophenyl)-5-methoxy-5-methylhexan-2-one
CID 103024454
4-(3-bromophenyl)-1-chlorobutan-2-one
CID 39361872

Frequently Asked Questions

What is the IUPAC name of iodo 2-(3-bromophenyl)acetate?
The IUPAC name of iodo 2-(3-bromophenyl)acetate (CID 155449676) is iodo 2-(3-bromophenyl)acetate.
What is the SMILES notation for iodo 2-(3-bromophenyl)acetate?
The canonical SMILES for iodo 2-(3-bromophenyl)acetate is O=C(Cc1cccc(Br)c1)OI.
What is the InChIKey of iodo 2-(3-bromophenyl)acetate?
The InChIKey is ONYDKTFOVUWVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIO2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2.
What are the key properties of iodo 2-(3-bromophenyl)acetate?
iodo 2-(3-bromophenyl)acetate has a molecular weight of 340.94 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-(3-bromophenyl)acetate is sourced from PubChem (CID 155449676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).