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

C15H22BrNO — CID 117198770

IUPAC1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)N1c2cccc(Br)c2CC1CC(C)(C)O
InChIInChI=1S/C15H22BrNO/c1-10(2)17-11(9-15(3,4)18)8-12-13(16)6-5-7-14(12)17/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyGTUAIYWLUPFKKS-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.75
Rot. Bonds3

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

1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol (PubChem CID 117198770) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
PubChem CID117198770
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
SMILESCC(C)N1c2cccc(Br)c2CC1CC(C)(C)O
InChIInChI=1S/C15H22BrNO/c1-10(2)17-11(9-15(3,4)18)8-12-13(16)6-5-7-14(12)17/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyGTUAIYWLUPFKKS-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol (CID 117198770) is 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol is CC(C)N1c2cccc(Br)c2CC1CC(C)(C)O.
What is the InChIKey of 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
The InChIKey is GTUAIYWLUPFKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10(2)17-11(9-15(3,4)18)8-12-13(16)6-5-7-14(12)17/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol has a molecular weight of 312.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117198770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).