cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone

C18H23NO2 — CID 80649092

IUPACcyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1ccc2[nH]cc(C(=O)C3CCCCC3)c2c1
InChIInChI=1S/C18H23NO2/c1-2-10-21-14-8-9-17-15(11-14)16(12-19-17)18(20)13-6-4-3-5-7-13/h8-9,11-13,19H,2-7,10H2,1H3
InChIKeyVKAYZFLCSOKITJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.72
Rot. Bonds5

About cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone

cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone (PubChem CID 80649092) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
PubChem CID80649092
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namecyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
SMILESCCCOc1ccc2[nH]cc(C(=O)C3CCCCC3)c2c1
InChIInChI=1S/C18H23NO2/c1-2-10-21-14-8-9-17-15(11-14)16(12-19-17)18(20)13-6-4-3-5-7-13/h8-9,11-13,19H,2-7,10H2,1H3
InChIKeyVKAYZFLCSOKITJ-UHFFFAOYSA-N
XLogP4.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643741
3,3-dimethyl-1-(5-propoxy-1H-indol-3-yl)butan-1-one
CID 80642952
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80643674
(1,1-dioxothiolan-3-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 80649078
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
3-(cycloheptanecarbonyl)-1H-indole-5-carbonitrile
CID 107919859
furan-3-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643315
3-bromo-4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80649238
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone?
The IUPAC name of cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone (CID 80649092) is cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone?
The canonical SMILES for cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone is CCCOc1ccc2[nH]cc(C(=O)C3CCCCC3)c2c1.
What is the InChIKey of cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone?
The InChIKey is VKAYZFLCSOKITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-10-21-14-8-9-17-15(11-14)16(12-19-17)18(20)13-6-4-3-5-7-13/h8-9,11-13,19H,2-7,10H2,1H3.
What are the key properties of cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone?
cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 80649092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).