2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one

C17H23NO2 — CID 43162108

IUPAC2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H23NO2/c1-4-6-7-12(5-2)17(19)15-11-18-16-9-8-13(20-3)10-14(15)16/h8-12,18H,4-7H2,1-3H3
InChIKeyOUIGTMCYNRGESD-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.58
Rot. Bonds7

About 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one

2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one (PubChem CID 43162108) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
PubChem CID43162108
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H23NO2/c1-4-6-7-12(5-2)17(19)15-11-18-16-9-8-13(20-3)10-14(15)16/h8-12,18H,4-7H2,1-3H3
InChIKeyOUIGTMCYNRGESD-UHFFFAOYSA-N
XLogP4.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
N-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]hexanamide
CID 142044574
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
CID 82985397
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one (CID 43162108) is 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one is CCCCC(CC)C(=O)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one?
The InChIKey is OUIGTMCYNRGESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-6-7-12(5-2)17(19)15-11-18-16-9-8-13(20-3)10-14(15)16/h8-12,18H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one?
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one has a molecular weight of 273.38 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one is sourced from PubChem (CID 43162108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).