4-(5-ethoxyindol-1-yl)butan-2-ol

C14H19NO2 — CID 116624097

IUPAC4-(5-ethoxyindol-1-yl)butan-2-ol
SMILESCCOc1ccc2c(ccn2CCC(C)O)c1
InChIInChI=1S/C14H19NO2/c1-3-17-13-4-5-14-12(10-13)7-9-15(14)8-6-11(2)16/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeyQZLFFGGXOWGVAX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.81
Rot. Bonds5

About 4-(5-ethoxyindol-1-yl)butan-2-ol

4-(5-ethoxyindol-1-yl)butan-2-ol (PubChem CID 116624097) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(5-ethoxyindol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-(5-ethoxyindol-1-yl)butan-2-ol
PubChem CID116624097
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(5-ethoxyindol-1-yl)butan-2-ol
SMILESCCOc1ccc2c(ccn2CCC(C)O)c1
InChIInChI=1S/C14H19NO2/c1-3-17-13-4-5-14-12(10-13)7-9-15(14)8-6-11(2)16/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeyQZLFFGGXOWGVAX-UHFFFAOYSA-N
XLogP2.81
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
ethyl 4-(5-ethoxyindol-1-yl)-3-hydroxybutanoate
CID 82771296
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
CID 106731679
2-chloro-3-(5-ethoxyindol-1-yl)propanoic acid
CID 113398041
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxyindol-1-yl)butan-2-ol?
The IUPAC name of 4-(5-ethoxyindol-1-yl)butan-2-ol (CID 116624097) is 4-(5-ethoxyindol-1-yl)butan-2-ol.
What is the SMILES notation for 4-(5-ethoxyindol-1-yl)butan-2-ol?
The canonical SMILES for 4-(5-ethoxyindol-1-yl)butan-2-ol is CCOc1ccc2c(ccn2CCC(C)O)c1.
What is the InChIKey of 4-(5-ethoxyindol-1-yl)butan-2-ol?
The InChIKey is QZLFFGGXOWGVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-13-4-5-14-12(10-13)7-9-15(14)8-6-11(2)16/h4-5,7,9-11,16H,3,6,8H2,1-2H3.
What are the key properties of 4-(5-ethoxyindol-1-yl)butan-2-ol?
4-(5-ethoxyindol-1-yl)butan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxyindol-1-yl)butan-2-ol is sourced from PubChem (CID 116624097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).