1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol

C12H16BrNO — CID 117201059

IUPAC1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2cc(Br)ccc2N1C
InChIInChI=1S/C12H16BrNO/c1-8(15)5-11-7-9-6-10(13)3-4-12(9)14(11)2/h3-4,6,8,11,15H,5,7H2,1-2H3
InChIKeyWOUPYPOIVFWVMU-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds2

About 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol

1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol (PubChem CID 117201059) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
PubChem CID117201059
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
SMILESCC(O)CC1Cc2cc(Br)ccc2N1C
InChIInChI=1S/C12H16BrNO/c1-8(15)5-11-7-9-6-10(13)3-4-12(9)14(11)2/h3-4,6,8,11,15H,5,7H2,1-2H3
InChIKeyWOUPYPOIVFWVMU-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

1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198613
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201212
3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201227
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
CID 117201169
1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117201898
1-(1,2-dimethyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 117203180
2-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201245
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200868
tert-butyl (2R)-5-bromo-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
CID 102395681
2-(7-bromo-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)ethanol
CID 84643766
2-(5-chloro-1-methyl-2,3-dihydroindol-2-yl)ethanamine
CID 83868700
1-[1-[(5-bromo-2-fluorophenyl)methyl]azepan-2-yl]propan-2-ol
CID 114338762

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The IUPAC name of 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol (CID 117201059) is 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol is CC(O)CC1Cc2cc(Br)ccc2N1C.
What is the InChIKey of 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
The InChIKey is WOUPYPOIVFWVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(15)5-11-7-9-6-10(13)3-4-12(9)14(11)2/h3-4,6,8,11,15H,5,7H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol?
1-(5-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-(5-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol is sourced from PubChem (CID 117201059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).