2-(2-bromophenyl)ethenone

C8H5BrO — CID 57448306

IUPAC2-(2-bromophenyl)ethenone
SMILESO=C=Cc1ccccc1Br
InChIInChI=1S/C8H5BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-5H
InChIKeySBIFCHKXQJDNFX-UHFFFAOYSA-N
MW197.03 g/mol
LogP2.29
Rot. Bonds1

About 2-(2-bromophenyl)ethenone

2-(2-bromophenyl)ethenone (PubChem CID 57448306) has the molecular formula C8H5BrO and a molecular weight of 197.03 g/mol. Its IUPAC name is 2-(2-bromophenyl)ethenone.

Molecular Properties

Compound Name2-(2-bromophenyl)ethenone
PubChem CID57448306
Molecular FormulaC8H5BrO
Molecular Weight197.03 g/mol
Exact Mass195.95
IUPAC Name2-(2-bromophenyl)ethenone
SMILESO=C=Cc1ccccc1Br
InChIInChI=1S/C8H5BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-5H
InChIKeySBIFCHKXQJDNFX-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)ethenone?
The IUPAC name of 2-(2-bromophenyl)ethenone (CID 57448306) is 2-(2-bromophenyl)ethenone.
What is the SMILES notation for 2-(2-bromophenyl)ethenone?
The canonical SMILES for 2-(2-bromophenyl)ethenone is O=C=Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)ethenone?
The InChIKey is SBIFCHKXQJDNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-5H.
What are the key properties of 2-(2-bromophenyl)ethenone?
2-(2-bromophenyl)ethenone has a molecular weight of 197.03 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)ethenone is sourced from PubChem (CID 57448306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).