3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid

C17H14BrNO2 — CID 142738569

IUPAC3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(-c3cccc(Br)c3)cc2c1
InChIInChI=1S/C17H14BrNO2/c18-14-3-1-2-12(9-14)16-10-13-8-11(5-7-17(20)21)4-6-15(13)19-16/h1-4,6,8-10,19H,5,7H2,(H,20,21)
InChIKeyBWOSBFYXQXJNFR-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.61
Rot. Bonds4

About 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid

3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid (PubChem CID 142738569) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid
PubChem CID142738569
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(-c3cccc(Br)c3)cc2c1
InChIInChI=1S/C17H14BrNO2/c18-14-3-1-2-12(9-14)16-10-13-8-11(5-7-17(20)21)4-6-15(13)19-16/h1-4,6,8-10,19H,5,7H2,(H,20,21)
InChIKeyBWOSBFYXQXJNFR-UHFFFAOYSA-N
XLogP4.61
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(3-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 142738544
(2-phenyl-1H-indol-5-yl)methanol
CID 44577788
3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid
CID 164627496
3-[2-(3-bromophenyl)-4-chloro-1H-imidazol-5-yl]propanoic acid
CID 84608660
5-bromo-2-(3-methylphenyl)-1H-indole
CID 131887155
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
2-[2-(4-fluorophenyl)-1H-indol-5-yl]ethanol
CID 175148463
3-[2-(3-bromophenyl)-1,5-dimethylimidazol-4-yl]propanoic acid
CID 84605380
3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
7-[[4-(5-bromo-1H-indol-2-yl)phenyl]methylsulfonylamino]-N-hydroxyheptanamide
CID 87113779
3-[3-(3-bromophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 82274156

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid (CID 142738569) is 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid is O=C(O)CCc1ccc2[nH]c(-c3cccc(Br)c3)cc2c1.
What is the InChIKey of 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid?
The InChIKey is BWOSBFYXQXJNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-14-3-1-2-12(9-14)16-10-13-8-11(5-7-17(20)21)4-6-15(13)19-16/h1-4,6,8-10,19H,5,7H2,(H,20,21).
What are the key properties of 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid?
3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid has a molecular weight of 344.21 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid is sourced from PubChem (CID 142738569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).