1-(5-bromo-1-methylindol-3-yl)propan-2-ol

C12H14BrNO — CID 83675916

IUPAC1-(5-bromo-1-methylindol-3-yl)propan-2-ol
SMILESCC(O)Cc1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C12H14BrNO/c1-8(15)5-9-7-14(2)12-4-3-10(13)6-11(9)12/h3-4,6-8,15H,5H2,1-2H3
InChIKeyKDIHAMOKRKQIAG-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.86
Rot. Bonds2

About 1-(5-bromo-1-methylindol-3-yl)propan-2-ol

1-(5-bromo-1-methylindol-3-yl)propan-2-ol (PubChem CID 83675916) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(5-bromo-1-methylindol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-1-methylindol-3-yl)propan-2-ol
PubChem CID83675916
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(5-bromo-1-methylindol-3-yl)propan-2-ol
SMILESCC(O)Cc1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C12H14BrNO/c1-8(15)5-9-7-14(2)12-4-3-10(13)6-11(9)12/h3-4,6-8,15H,5H2,1-2H3
InChIKeyKDIHAMOKRKQIAG-UHFFFAOYSA-N
XLogP2.86
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
5-bromo-1-methyl-3-[(4-propan-2-ylphenyl)methyl]indole
CID 26367659
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
1-(5-bromo-1-methylindol-3-yl)propan-1-amine
CID 82278922
6-bromo-3-ethyl-1-methylindole
CID 115042453
5-bromo-3-[2-(5-bromo-1-methylindol-3-yl)propan-2-yl]-1-methylindole
CID 102127981
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
CID 82667140
1-(6-bromo-1-methylindol-2-yl)propan-2-ol
CID 84712067
3-amino-4-(5-chloro-1-methylindol-3-yl)but-1-en-2-ol;ethane
CID 153346453
7-bromo-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807892
1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one
CID 84646589

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylindol-3-yl)propan-2-ol?
The IUPAC name of 1-(5-bromo-1-methylindol-3-yl)propan-2-ol (CID 83675916) is 1-(5-bromo-1-methylindol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-1-methylindol-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-1-methylindol-3-yl)propan-2-ol is CC(O)Cc1cn(C)c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1-methylindol-3-yl)propan-2-ol?
The InChIKey is KDIHAMOKRKQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(15)5-9-7-14(2)12-4-3-10(13)6-11(9)12/h3-4,6-8,15H,5H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methylindol-3-yl)propan-2-ol?
1-(5-bromo-1-methylindol-3-yl)propan-2-ol has a molecular weight of 268.15 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylindol-3-yl)propan-2-ol is sourced from PubChem (CID 83675916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).