(1-butylindol-5-yl)methanol

C13H17NO — CID 102912394

IUPAC(1-butylindol-5-yl)methanol
SMILESCCCCn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H17NO/c1-2-3-7-14-8-6-12-9-11(10-15)4-5-13(12)14/h4-6,8-9,15H,2-3,7,10H2,1H3
InChIKeyUWOYZDKPUPZLRG-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.93
Rot. Bonds4

About (1-butylindol-5-yl)methanol

(1-butylindol-5-yl)methanol (PubChem CID 102912394) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (1-butylindol-5-yl)methanol.

Molecular Properties

Compound Name(1-butylindol-5-yl)methanol
PubChem CID102912394
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(1-butylindol-5-yl)methanol
SMILESCCCCn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H17NO/c1-2-3-7-14-8-6-12-9-11(10-15)4-5-13(12)14/h4-6,8-9,15H,2-3,7,10H2,1H3
InChIKeyUWOYZDKPUPZLRG-UHFFFAOYSA-N
XLogP2.93
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
CID 103411232
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
1-pentylindol-5-ol
CID 142952081
1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546
1-butyl-N,N-dimethylindol-5-amine
CID 129132176
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
[1-[(E)-but-2-enyl]indol-5-yl]methanol
CID 102912660

Frequently Asked Questions

What is the IUPAC name of (1-butylindol-5-yl)methanol?
The IUPAC name of (1-butylindol-5-yl)methanol (CID 102912394) is (1-butylindol-5-yl)methanol.
What is the SMILES notation for (1-butylindol-5-yl)methanol?
The canonical SMILES for (1-butylindol-5-yl)methanol is CCCCn1ccc2cc(CO)ccc21.
What is the InChIKey of (1-butylindol-5-yl)methanol?
The InChIKey is UWOYZDKPUPZLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-7-14-8-6-12-9-11(10-15)4-5-13(12)14/h4-6,8-9,15H,2-3,7,10H2,1H3.
What are the key properties of (1-butylindol-5-yl)methanol?
(1-butylindol-5-yl)methanol has a molecular weight of 203.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylindol-5-yl)methanol is sourced from PubChem (CID 102912394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).