1-(3-bromophenyl)propan-2-one

C9H9BrO — CID 2734093

IUPAC1-(3-bromophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C9H9BrO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
InChIKeyFQIZFAJMBXZVOL-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.58
Rot. Bonds2

About 1-(3-bromophenyl)propan-2-one

1-(3-bromophenyl)propan-2-one (PubChem CID 2734093) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-(3-bromophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)propan-2-one
PubChem CID2734093
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name1-(3-bromophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C9H9BrO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
InChIKeyFQIZFAJMBXZVOL-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phenylacetone
CID 7678
p-Bromoacetophenone
CID 7466
2-Bromopropiophenone
CID 16452
3'-Bromoacetophenone
CID 16502
4'-Bromochalcone
CID 5355204
4-Bromochalcone
CID 5367147
(2E)-1-(3-Bromophenyl)-3-phenylprop-2-en-1-one
CID 5801435
1-Phenyl-2-butanone
CID 13879
2'-Bromoacetophenone
CID 75060
1-Butanone, 1-(4-bromophenyl)-
CID 78680
p-Bromopropiophenone
CID 66312
3-Bromobenzophenone
CID 70548

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)propan-2-one?
The IUPAC name of 1-(3-bromophenyl)propan-2-one (CID 2734093) is 1-(3-bromophenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)propan-2-one is CC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)propan-2-one?
The InChIKey is FQIZFAJMBXZVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-(3-bromophenyl)propan-2-one?
1-(3-bromophenyl)propan-2-one has a molecular weight of 213.07 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)propan-2-one is sourced from PubChem (CID 2734093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).