1-(3-bromoindol-1-yl)-2-methylpropan-2-ol

C12H14BrNO — CID 101209316

IUPAC1-(3-bromoindol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Br)c2ccccc21
InChIInChI=1S/C12H14BrNO/c1-12(2,15)8-14-7-10(13)9-5-3-4-6-11(9)14/h3-7,15H,8H2,1-2H3
InChIKeyJJEYJJJYYGOHHY-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.17
Rot. Bonds2

About 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol

1-(3-bromoindol-1-yl)-2-methylpropan-2-ol (PubChem CID 101209316) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromoindol-1-yl)-2-methylpropan-2-ol
PubChem CID101209316
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(3-bromoindol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Br)c2ccccc21
InChIInChI=1S/C12H14BrNO/c1-12(2,15)8-14-7-10(13)9-5-3-4-6-11(9)14/h3-7,15H,8H2,1-2H3
InChIKeyJJEYJJJYYGOHHY-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromoindol-1-yl)-3,3-dimethylbutan-2-one
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1-[1-(2-hydroxy-2-methylpropyl)indol-3-yl]-2-methylpentan-1-one
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tert-butyl 3-(3-bromoindol-1-yl)propanoate
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1-(3-bromoindol-1-yl)-3-methylbutan-2-one
CID 79395579
3-[(3-bromoindol-1-yl)methyl]-2-methylaniline
CID 62805729
3-bromo-1-methylindole
CID 13357736
N-[3-(3-bromoindol-1-yl)propyl]aniline
CID 63506327
3-(3-bromoindol-1-yl)-N-propylpropan-1-amine
CID 62804653
1-(3-hydroxy-3-methylbutyl)indole-3-carbaldehyde
CID 79355612
2-[2-(3-bromoindol-1-yl)ethyl]aniline
CID 62803398
4-[2-(3-bromoindol-1-yl)ethyl]aniline
CID 62805730
methyl 3-bromo-1-(2,2,2-trifluoroethyl)indole-5-carboxylate
CID 154814756

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol (CID 101209316) is 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1cc(Br)c2ccccc21.
What is the InChIKey of 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol?
The InChIKey is JJEYJJJYYGOHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(2,15)8-14-7-10(13)9-5-3-4-6-11(9)14/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol?
1-(3-bromoindol-1-yl)-2-methylpropan-2-ol has a molecular weight of 268.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoindol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 101209316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).