1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol

C12H14BrNO — CID 84712066

IUPAC1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C12H14BrNO/c1-12(2,15)6-8-7-14-11-5-9(13)3-4-10(8)11/h3-5,7,14-15H,6H2,1-2H3
InChIKeyULWQDSJFXGWQHY-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.24
Rot. Bonds2

About 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol

1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol (PubChem CID 84712066) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
PubChem CID84712066
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C12H14BrNO/c1-12(2,15)6-8-7-14-11-5-9(13)3-4-10(8)11/h3-5,7,14-15H,6H2,1-2H3
InChIKeyULWQDSJFXGWQHY-UHFFFAOYSA-N
XLogP3.24
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 57138871
6-bromo-3-[2-(6-bromo-1H-indol-3-yl)propan-2-yl]-1H-indole
CID 155941539
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
2-(6-bromo-1H-indol-3-yl)-N-chloroethanamine
CID 88853409
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)-2-methylpropanoate
CID 90842063
2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
CID 84642871
tert-butyl N-[2-(6-bromo-1H-indol-3-yl)ethyl]-N-(dimethylsulfamoyl)carbamate
CID 166911546
6-bromo-1H-indol-3-ol;octanoic acid
CID 174613949
3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
CID 170829404

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol (CID 84712066) is 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol is CC(C)(O)Cc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol?
The InChIKey is ULWQDSJFXGWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(2,15)6-8-7-14-11-5-9(13)3-4-10(8)11/h3-5,7,14-15H,6H2,1-2H3.
What are the key properties of 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol?
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol has a molecular weight of 268.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 84712066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).