2-acetyl-3-bromo-5-ethoxybenzaldehyde

C11H11BrO3 — CID 171001063

IUPAC2-acetyl-3-bromo-5-ethoxybenzaldehyde
SMILESCCOc1cc(Br)c(C(C)=O)c(C=O)c1
InChIInChI=1S/C11H11BrO3/c1-3-15-9-4-8(6-13)11(7(2)14)10(12)5-9/h4-6H,3H2,1-2H3
InChIKeyVZEUJDBGFQFETP-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.86
Rot. Bonds4

About 2-acetyl-3-bromo-5-ethoxybenzaldehyde

2-acetyl-3-bromo-5-ethoxybenzaldehyde (PubChem CID 171001063) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-acetyl-3-bromo-5-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-acetyl-3-bromo-5-ethoxybenzaldehyde
PubChem CID171001063
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name2-acetyl-3-bromo-5-ethoxybenzaldehyde
SMILESCCOc1cc(Br)c(C(C)=O)c(C=O)c1
InChIInChI=1S/C11H11BrO3/c1-3-15-9-4-8(6-13)11(7(2)14)10(12)5-9/h4-6H,3H2,1-2H3
InChIKeyVZEUJDBGFQFETP-UHFFFAOYSA-N
XLogP2.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one
CID 61834439
6-Bromo-3,4-dimethoxybenzaldehyde
CID 79351
3-Bromo-4,5-dimethoxybenzaldehyde
CID 81379
3-Bromo-5-methoxy-4-(2-propen-1-yloxy)benzaldehyde
CID 2168163
3-((3-Bromobenzyl)oxy)benzaldehyde
CID 3596769
2-Bromo-4,5-diethoxybenzaldehyde
CID 819972
4-[(3-Bromophenyl)methoxy]benzaldehyde
CID 2063320
2-Bromo-3,4-dimethoxybenzaldehyde
CID 618538
7-[(3-Bromobenzyl)oxy]-3,4-dihydronaphthalen-1(2H)-one (4h)
CID 105628832
2-Bromo-4-(cyclopentyloxy)-5-methoxybenzaldehyde
CID 2168465
4-[(2-Bromobenzyl)oxy]-3-methoxybenzaldehyde
CID 598175
1-[3-[(3-Bromophenyl)methoxy]phenyl]ethanone
CID 24689611

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-bromo-5-ethoxybenzaldehyde?
The IUPAC name of 2-acetyl-3-bromo-5-ethoxybenzaldehyde (CID 171001063) is 2-acetyl-3-bromo-5-ethoxybenzaldehyde.
What is the SMILES notation for 2-acetyl-3-bromo-5-ethoxybenzaldehyde?
The canonical SMILES for 2-acetyl-3-bromo-5-ethoxybenzaldehyde is CCOc1cc(Br)c(C(C)=O)c(C=O)c1.
What is the InChIKey of 2-acetyl-3-bromo-5-ethoxybenzaldehyde?
The InChIKey is VZEUJDBGFQFETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-3-15-9-4-8(6-13)11(7(2)14)10(12)5-9/h4-6H,3H2,1-2H3.
What are the key properties of 2-acetyl-3-bromo-5-ethoxybenzaldehyde?
2-acetyl-3-bromo-5-ethoxybenzaldehyde has a molecular weight of 271.11 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-bromo-5-ethoxybenzaldehyde is sourced from PubChem (CID 171001063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).