1-(3-bromophenyl)non-8-en-2-one

C15H19BrO — CID 107008172

IUPAC1-(3-bromophenyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H19BrO/c1-2-3-4-5-6-10-15(17)12-13-8-7-9-14(16)11-13/h2,7-9,11H,1,3-6,10,12H2
InChIKeyXFOUVCAOKCXPHK-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.70
Rot. Bonds8

About 1-(3-bromophenyl)non-8-en-2-one

1-(3-bromophenyl)non-8-en-2-one (PubChem CID 107008172) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)non-8-en-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)non-8-en-2-one
PubChem CID107008172
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name1-(3-bromophenyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H19BrO/c1-2-3-4-5-6-10-15(17)12-13-8-7-9-14(16)11-13/h2,7-9,11H,1,3-6,10,12H2
InChIKeyXFOUVCAOKCXPHK-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tricosa-1,22-dien-12-one
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CID 3608673
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CID 103024454
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
1-(4-aminophenyl)dec-9-en-3-one
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CID 11736027
iodo 2-(3-bromophenyl)acetate
CID 155449676
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
(Z)-1-(3-bromophenyl)-3-ethylpent-3-en-2-one
CID 103447328
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
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1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)non-8-en-2-one?
The IUPAC name of 1-(3-bromophenyl)non-8-en-2-one (CID 107008172) is 1-(3-bromophenyl)non-8-en-2-one.
What is the SMILES notation for 1-(3-bromophenyl)non-8-en-2-one?
The canonical SMILES for 1-(3-bromophenyl)non-8-en-2-one is C=CCCCCCC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)non-8-en-2-one?
The InChIKey is XFOUVCAOKCXPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-2-3-4-5-6-10-15(17)12-13-8-7-9-14(16)11-13/h2,7-9,11H,1,3-6,10,12H2.
What are the key properties of 1-(3-bromophenyl)non-8-en-2-one?
1-(3-bromophenyl)non-8-en-2-one has a molecular weight of 295.22 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)non-8-en-2-one is sourced from PubChem (CID 107008172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).