cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone

C17H21NO2 — CID 83162479

IUPACcyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)C3CCCCC3)c12
InChIInChI=1S/C17H21NO2/c1-2-20-15-10-6-9-14-16(15)13(11-18-14)17(19)12-7-4-3-5-8-12/h6,9-12,18H,2-5,7-8H2,1H3
InChIKeyPOZZWLYODKGNMR-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.33
Rot. Bonds4

About cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone

cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone (PubChem CID 83162479) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
PubChem CID83162479
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namecyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)C3CCCCC3)c12
InChIInChI=1S/C17H21NO2/c1-2-20-15-10-6-9-14-16(15)13(11-18-14)17(19)12-7-4-3-5-8-12/h6,9-12,18H,2-5,7-8H2,1H3
InChIKeyPOZZWLYODKGNMR-UHFFFAOYSA-N
XLogP4.33
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
6-bicyclo[3.1.0]hexanyl-(4-propoxy-1H-indol-3-yl)methanone
CID 83164068
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
CID 83164226
(4-ethoxy-1H-indol-3-yl)-(furan-3-yl)methanone
CID 83163327
4-ethoxy-3-ethyl-1H-indole
CID 171816854
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
1-(4-cyclobutyloxy-1H-indol-3-yl)ethanone
CID 83918329
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone?
The IUPAC name of cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone (CID 83162479) is cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone is CCOc1cccc2[nH]cc(C(=O)C3CCCCC3)c12.
What is the InChIKey of cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone?
The InChIKey is POZZWLYODKGNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-20-15-10-6-9-14-16(15)13(11-18-14)17(19)12-7-4-3-5-8-12/h6,9-12,18H,2-5,7-8H2,1H3.
What are the key properties of cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone?
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83162479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).