1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone

C14H10BrIO2 — CID 82972451

IUPAC1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1ccccc1I
InChIInChI=1S/C14H10BrIO2/c1-9(17)11-8-10(15)6-7-13(11)18-14-5-3-2-4-12(14)16/h2-8H,1H3
InChIKeyMSOKAUKYBZXHOW-UHFFFAOYSA-N
MW417.04 g/mol
LogP5.05
Rot. Bonds3

About 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone

1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone (PubChem CID 82972451) has the molecular formula C14H10BrIO2 and a molecular weight of 417.04 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
PubChem CID82972451
Molecular FormulaC14H10BrIO2
Molecular Weight417.04 g/mol
Exact Mass415.89
IUPAC Name1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1ccccc1I
InChIInChI=1S/C14H10BrIO2/c1-9(17)11-8-10(15)6-7-13(11)18-14-5-3-2-4-12(14)16/h2-8H,1H3
InChIKeyMSOKAUKYBZXHOW-UHFFFAOYSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.04
LogP ≤ 55.05
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

1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
CID 82971994

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone (CID 82972451) is 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone is CC(=O)c1cc(Br)ccc1Oc1ccccc1I.
What is the InChIKey of 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone?
The InChIKey is MSOKAUKYBZXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIO2/c1-9(17)11-8-10(15)6-7-13(11)18-14-5-3-2-4-12(14)16/h2-8H,1H3.
What are the key properties of 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone?
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone has a molecular weight of 417.04 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone is sourced from PubChem (CID 82972451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).