2-ethoxybenzoyl bromide

C9H9BrO2 — CID 19426336

IUPAC2-ethoxybenzoyl bromide
SMILESCCOc1ccccc1C(=O)Br
InChIInChI=1S/C9H9BrO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKeyBMDNZYMOKAGJSW-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.62
Rot. Bonds3

About 2-ethoxybenzoyl bromide

2-ethoxybenzoyl bromide (PubChem CID 19426336) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-ethoxybenzoyl bromide.

Molecular Properties

Compound Name2-ethoxybenzoyl bromide
PubChem CID19426336
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-ethoxybenzoyl bromide
SMILESCCOc1ccccc1C(=O)Br
InChIInChI=1S/C9H9BrO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKeyBMDNZYMOKAGJSW-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone
CID 154414332
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzoyl bromide?
The IUPAC name of 2-ethoxybenzoyl bromide (CID 19426336) is 2-ethoxybenzoyl bromide.
What is the SMILES notation for 2-ethoxybenzoyl bromide?
The canonical SMILES for 2-ethoxybenzoyl bromide is CCOc1ccccc1C(=O)Br.
What is the InChIKey of 2-ethoxybenzoyl bromide?
The InChIKey is BMDNZYMOKAGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3.
What are the key properties of 2-ethoxybenzoyl bromide?
2-ethoxybenzoyl bromide has a molecular weight of 229.07 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzoyl bromide is sourced from PubChem (CID 19426336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).