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

C16H21NO — CID 117118879

IUPAC2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol
SMILESCC(CO)c1cccc2c1ccn2CC1CCC1
InChIInChI=1S/C16H21NO/c1-12(11-18)14-6-3-7-16-15(14)8-9-17(16)10-13-4-2-5-13/h3,6-9,12-13,18H,2,4-5,10-11H2,1H3
InChIKeyNAEADUVYCLLSER-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.54
Rot. Bonds4

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

2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol (PubChem CID 117118879) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol
PubChem CID117118879
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol
SMILESCC(CO)c1cccc2c1ccn2CC1CCC1
InChIInChI=1S/C16H21NO/c1-12(11-18)14-6-3-7-16-15(14)8-9-17(16)10-13-4-2-5-13/h3,6-9,12-13,18H,2,4-5,10-11H2,1H3
InChIKeyNAEADUVYCLLSER-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
CID 117118984
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
2-(1-cyclobutylindol-7-yl)propan-1-ol
CID 115115262
2-(1-cyclobutylindol-3-yl)propan-1-ol
CID 115115306
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
CID 115106970
4-ethoxy-1-(oxan-4-ylmethyl)indole
CID 83174245
2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
CID 117118920
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
CID 115106600
3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
CID 115107009

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol?
The IUPAC name of 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol (CID 117118879) is 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol is CC(CO)c1cccc2c1ccn2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol?
The InChIKey is NAEADUVYCLLSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(11-18)14-6-3-7-16-15(14)8-9-17(16)10-13-4-2-5-13/h3,6-9,12-13,18H,2,4-5,10-11H2,1H3.
What are the key properties of 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol?
2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol is sourced from PubChem (CID 117118879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).