3-(6-bromoindol-1-yl)-1-phenylpropan-1-one

C17H14BrNO — CID 116691910

IUPAC3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCn1ccc2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C17H14BrNO/c18-15-7-6-13-8-10-19(16(13)12-15)11-9-17(20)14-4-2-1-3-5-14/h1-8,10,12H,9,11H2
InChIKeyLBKZEVAIURJAOI-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.68
Rot. Bonds4

About 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one

3-(6-bromoindol-1-yl)-1-phenylpropan-1-one (PubChem CID 116691910) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
PubChem CID116691910
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
SMILESO=C(CCn1ccc2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C17H14BrNO/c18-15-7-6-13-8-10-19(16(13)12-15)11-9-17(20)14-4-2-1-3-5-14/h1-8,10,12H,9,11H2
InChIKeyLBKZEVAIURJAOI-UHFFFAOYSA-N
XLogP4.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
6-bromo-1-(4-phenylbutyl)indole
CID 114334825
3-(6-bromoindol-1-yl)-N-ethylpropanamide
CID 116621862
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
6-bromo-1-(2-fluoroethyl)indole
CID 116622037
4-(6-bromoindol-1-yl)butan-1-amine
CID 62566051
N-[3-(6-bromoindol-1-yl)propyl]aniline
CID 63506154
4-[[3-(6-bromoindol-1-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 42537037
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
3-(4-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691890

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one (CID 116691910) is 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one is O=C(CCn1ccc2ccc(Br)cc21)c1ccccc1.
What is the InChIKey of 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one?
The InChIKey is LBKZEVAIURJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-15-7-6-13-8-10-19(16(13)12-15)11-9-17(20)14-4-2-1-3-5-14/h1-8,10,12H,9,11H2.
What are the key properties of 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one?
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one has a molecular weight of 328.21 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoindol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 116691910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).