2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde

C15H9BrO2 — CID 102367766

IUPAC2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Br)oc2ccccc12
InChIInChI=1S/C15H9BrO2/c16-13-7-3-1-6-11(13)15-12(9-17)10-5-2-4-8-14(10)18-15/h1-9H
InChIKeyDWDBKWAMCBXFDJ-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.67
Rot. Bonds2

About 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde

2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde (PubChem CID 102367766) has the molecular formula C15H9BrO2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
PubChem CID102367766
Molecular FormulaC15H9BrO2
Molecular Weight301.14 g/mol
Exact Mass299.98
IUPAC Name2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Br)oc2ccccc12
InChIInChI=1S/C15H9BrO2/c16-13-7-3-1-6-11(13)15-12(9-17)10-5-2-4-8-14(10)18-15/h1-9H
InChIKeyDWDBKWAMCBXFDJ-UHFFFAOYSA-N
XLogP4.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-4-yl-1-benzofuran-3-carbaldehyde
CID 28966770
2-bromo-6-(2-bromophenyl)benzaldehyde
CID 90419331
sodium 3-formyl-1-benzofuran-2-thiolate
CID 135057802
2-(2-bromophenyl)naphthalene-1-carbaldehyde
CID 102449578
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran
CID 176875814
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
4-bromo-2-chloro-1-benzofuran-3-carbaldehyde
CID 82380186
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
CID 82382423
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde (CID 102367766) is 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde is O=Cc1c(-c2ccccc2Br)oc2ccccc12.
What is the InChIKey of 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde?
The InChIKey is DWDBKWAMCBXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO2/c16-13-7-3-1-6-11(13)15-12(9-17)10-5-2-4-8-14(10)18-15/h1-9H.
What are the key properties of 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde?
2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde has a molecular weight of 301.14 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 102367766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).