1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol

C12H16BrNO — CID 117198613

IUPAC1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2c(Br)cccc2N1C
InChIInChI=1S/C12H16BrNO/c1-8(15)6-9-7-10-11(13)4-3-5-12(10)14(9)2/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyUKLZNDIQBWSIPR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol

1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol (PubChem CID 117198613) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
PubChem CID117198613
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2c(Br)cccc2N1C
InChIInChI=1S/C12H16BrNO/c1-8(15)6-9-7-10-11(13)4-3-5-12(10)14(9)2/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyUKLZNDIQBWSIPR-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198605
1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117201059
1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol
CID 117198761
1-(4-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198329
1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117198684
1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
CID 117198770
2-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198825
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 118050177
1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198803

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol (CID 117198613) is 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol is CC(O)CC1Cc2c(Br)cccc2N1C.
What is the InChIKey of 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The InChIKey is UKLZNDIQBWSIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(15)6-9-7-10-11(13)4-3-5-12(10)14(9)2/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol has a molecular weight of 270.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol is sourced from PubChem (CID 117198613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).