2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol

C15H21NO — CID 115114963

IUPAC2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
SMILESCC(C)n1ccc2cc(CC(C)(C)O)ccc21
InChIInChI=1S/C15H21NO/c1-11(2)16-8-7-13-9-12(5-6-14(13)16)10-15(3,4)17/h5-9,11,17H,10H2,1-4H3
InChIKeyLNCGXXHBYASIPT-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol

2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol (PubChem CID 115114963) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
PubChem CID115114963
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
SMILESCC(C)n1ccc2cc(CC(C)(C)O)ccc21
InChIInChI=1S/C15H21NO/c1-11(2)16-8-7-13-9-12(5-6-14(13)16)10-15(3,4)17/h5-9,11,17H,10H2,1-4H3
InChIKeyLNCGXXHBYASIPT-UHFFFAOYSA-N
XLogP3.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-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 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol (CID 115114963) is 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol is CC(C)n1ccc2cc(CC(C)(C)O)ccc21.
What is the InChIKey of 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol?
The InChIKey is LNCGXXHBYASIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)16-8-7-13-9-12(5-6-14(13)16)10-15(3,4)17/h5-9,11,17H,10H2,1-4H3.
What are the key properties of 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol?
2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol is sourced from PubChem (CID 115114963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).