2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol

C16H23NO — CID 117120348

IUPAC2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
SMILESCc1cccc2c1cc(CC(C)(C)O)n2C(C)C
InChIInChI=1S/C16H23NO/c1-11(2)17-13(10-16(4,5)18)9-14-12(3)7-6-8-15(14)17/h6-9,11,18H,10H2,1-5H3
InChIKeyQYNOWLUWDMFTGU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.84
Rot. Bonds3

About 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol

2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol (PubChem CID 117120348) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
PubChem CID117120348
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
SMILESCc1cccc2c1cc(CC(C)(C)O)n2C(C)C
InChIInChI=1S/C16H23NO/c1-11(2)17-13(10-16(4,5)18)9-14-12(3)7-6-8-15(14)17/h6-9,11,18H,10H2,1-5H3
InChIKeyQYNOWLUWDMFTGU-UHFFFAOYSA-N
XLogP3.84
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-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-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol (CID 117120348) is 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol is Cc1cccc2c1cc(CC(C)(C)O)n2C(C)C.
What is the InChIKey of 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol?
The InChIKey is QYNOWLUWDMFTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)17-13(10-16(4,5)18)9-14-12(3)7-6-8-15(14)17/h6-9,11,18H,10H2,1-5H3.
What are the key properties of 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol?
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol is sourced from PubChem (CID 117120348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).