1-(4-bromophenyl)ethanone

C8H7BrO — CID 7466

IUPAC1-(4-bromophenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKeyWYECURVXVYPVAT-UHFFFAOYSA-N
MW199.05 g/mol
LogP2.65
Rot. Bonds1

About 1-(4-bromophenyl)ethanone

1-(4-bromophenyl)ethanone (PubChem CID 7466) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is 1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)ethanone
PubChem CID7466
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name1-(4-bromophenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKeyWYECURVXVYPVAT-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)ethanone?
The IUPAC name of 1-(4-bromophenyl)ethanone (CID 7466) is 1-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)ethanone is CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)ethanone?
The InChIKey is WYECURVXVYPVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3.
What are the key properties of 1-(4-bromophenyl)ethanone?
1-(4-bromophenyl)ethanone has a molecular weight of 199.05 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)ethanone is sourced from PubChem (CID 7466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).