ethyl 2-(2-bromo-4-iodophenyl)acetate

C10H10BrIO2 — CID 131871493

IUPACethyl 2-(2-bromo-4-iodophenyl)acetate
SMILESCCOC(=O)Cc1ccc(I)cc1Br
InChIInChI=1S/C10H10BrIO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5H2,1H3
InChIKeyNUNPDKOQGJZSSG-UHFFFAOYSA-N
MW369.00 g/mol
LogP3.16
Rot. Bonds3

About ethyl 2-(2-bromo-4-iodophenyl)acetate

ethyl 2-(2-bromo-4-iodophenyl)acetate (PubChem CID 131871493) has the molecular formula C10H10BrIO2 and a molecular weight of 369.00 g/mol. Its IUPAC name is ethyl 2-(2-bromo-4-iodophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-4-iodophenyl)acetate
PubChem CID131871493
Molecular FormulaC10H10BrIO2
Molecular Weight369.00 g/mol
Exact Mass367.89
IUPAC Nameethyl 2-(2-bromo-4-iodophenyl)acetate
SMILESCCOC(=O)Cc1ccc(I)cc1Br
InChIInChI=1S/C10H10BrIO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5H2,1H3
InChIKeyNUNPDKOQGJZSSG-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.00
LogP ≤ 53.16
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

ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
ethyl 2-(4-acetyl-2-bromophenyl)acetate
CID 121231889
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
ethyl 2-(4-bromo-2-iodo-5-methylphenyl)acetate
CID 171563647
ethyl 2-[2-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134631936
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033815
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-[2-bromo-4-(4-nitrophenoxy)phenyl]acetate
CID 70985146
ethyl 2-(2-bromo-5-ethoxyphenyl)acetate
CID 150760921
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-4-iodophenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-4-iodophenyl)acetate (CID 131871493) is ethyl 2-(2-bromo-4-iodophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-4-iodophenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-4-iodophenyl)acetate is CCOC(=O)Cc1ccc(I)cc1Br.
What is the InChIKey of ethyl 2-(2-bromo-4-iodophenyl)acetate?
The InChIKey is NUNPDKOQGJZSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrIO2/c1-2-14-10(13)5-7-3-4-8(12)6-9(7)11/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-bromo-4-iodophenyl)acetate?
ethyl 2-(2-bromo-4-iodophenyl)acetate has a molecular weight of 369.00 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-4-iodophenyl)acetate is sourced from PubChem (CID 131871493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).