2-(1-benzofuran-5-yl)-2-bromoacetaldehyde

C10H7BrO2 — CID 87653601

IUPAC2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
SMILESO=CC(Br)c1ccc2occc2c1
InChIInChI=1S/C10H7BrO2/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-6,9H
InChIKeyBBDZFFFKVVXGRV-UHFFFAOYSA-N
MW239.07 g/mol
LogP3.07
Rot. Bonds2

About 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde

2-(1-benzofuran-5-yl)-2-bromoacetaldehyde (PubChem CID 87653601) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
PubChem CID87653601
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
SMILESO=CC(Br)c1ccc2occc2c1
InChIInChI=1S/C10H7BrO2/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-6,9H
InChIKeyBBDZFFFKVVXGRV-UHFFFAOYSA-N
XLogP3.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethoxymethyl)-1-benzofuran
CID 11816358
2-(1-benzofuran-5-yl)-2-hydroxyacetic acid
CID 82403049
1-(1-benzofuran-5-yl)-3-bromopropane-1,2-diol
CID 171860132
3-(1-benzofuran-5-yl)-2-methylpropanal
CID 83829075
1-(1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 112709888
5-(diphenoxymethyl)-1-benzofuran
CID 140773853
2-acetamido-2-(1-benzofuran-5-yl)acetic acid
CID 20531252
2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine
CID 83821795
2-bromo-2-(3,4-dihydroxyphenyl)acetaldehyde
CID 90134025
3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
CID 166892612
1-benzofuran-5-ol
CID 11651159
1-(1-benzofuran-5-yl)butylurea
CID 19934315

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde?
The IUPAC name of 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde (CID 87653601) is 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde?
The canonical SMILES for 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde is O=CC(Br)c1ccc2occc2c1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde?
The InChIKey is BBDZFFFKVVXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-6,9H.
What are the key properties of 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde?
2-(1-benzofuran-5-yl)-2-bromoacetaldehyde has a molecular weight of 239.07 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-2-bromoacetaldehyde is sourced from PubChem (CID 87653601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).