1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol

C16H21NO — CID 115106892

IUPAC1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
SMILESCC(O)Cc1cccc2c1ccn2CC1CCC1
InChIInChI=1S/C16H21NO/c1-12(18)10-14-6-3-7-16-15(14)8-9-17(16)11-13-4-2-5-13/h3,6-9,12-13,18H,2,4-5,10-11H2,1H3
InChIKeyWDXCEUKLCSDUAF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.36
Rot. Bonds4

About 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol

1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol (PubChem CID 115106892) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
PubChem CID115106892
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
SMILESCC(O)Cc1cccc2c1ccn2CC1CCC1
InChIInChI=1S/C16H21NO/c1-12(18)10-14-6-3-7-16-15(14)8-9-17(16)11-13-4-2-5-13/h3,6-9,12-13,18H,2,4-5,10-11H2,1H3
InChIKeyWDXCEUKLCSDUAF-UHFFFAOYSA-N
XLogP3.36
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(cyclobutylmethyl)indol-4-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 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol (CID 115106892) is 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol is CC(O)Cc1cccc2c1ccn2CC1CCC1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol?
The InChIKey is WDXCEUKLCSDUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(18)10-14-6-3-7-16-15(14)8-9-17(16)11-13-4-2-5-13/h3,6-9,12-13,18H,2,4-5,10-11H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol?
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol is sourced from PubChem (CID 115106892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).