1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone

C10H10BrIO2 — CID 171001298

IUPAC1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
SMILESCCOc1ccc(C(C)=O)c(I)c1Br
InChIInChI=1S/C10H10BrIO2/c1-3-14-8-5-4-7(6(2)13)10(12)9(8)11/h4-5H,3H2,1-2H3
InChIKeyQNFKXOMIXNZEIV-UHFFFAOYSA-N
MW369.00 g/mol
LogP3.65
Rot. Bonds3

About 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone

1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone (PubChem CID 171001298) has the molecular formula C10H10BrIO2 and a molecular weight of 369.00 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
PubChem CID171001298
Molecular FormulaC10H10BrIO2
Molecular Weight369.00 g/mol
Exact Mass367.89
IUPAC Name1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
SMILESCCOc1ccc(C(C)=O)c(I)c1Br
InChIInChI=1S/C10H10BrIO2/c1-3-14-8-5-4-7(6(2)13)10(12)9(8)11/h4-5H,3H2,1-2H3
InChIKeyQNFKXOMIXNZEIV-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647
1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
CID 171001079
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
1-(3-ethoxy-2-iodo-6-methylphenyl)ethanone
CID 171013372
1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-(3-ethoxy-2-iodo-4-nitrophenyl)ethanone
CID 171016537
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone (CID 171001298) is 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone is CCOc1ccc(C(C)=O)c(I)c1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone?
The InChIKey is QNFKXOMIXNZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrIO2/c1-3-14-8-5-4-7(6(2)13)10(12)9(8)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone?
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone has a molecular weight of 369.00 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone is sourced from PubChem (CID 171001298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).