3-(2-cyclohexylethyl)-5-methoxy-1H-indole

C17H23NO — CID 106985417

IUPAC3-(2-cyclohexylethyl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCC3CCCCC3)c2c1
InChIInChI=1S/C17H23NO/c1-19-15-9-10-17-16(11-15)14(12-18-17)8-7-13-5-3-2-4-6-13/h9-13,18H,2-8H2,1H3
InChIKeyVZPGMCJUJDRBPT-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.69
Rot. Bonds4

About 3-(2-cyclohexylethyl)-5-methoxy-1H-indole

3-(2-cyclohexylethyl)-5-methoxy-1H-indole (PubChem CID 106985417) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-5-methoxy-1H-indole
PubChem CID106985417
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(2-cyclohexylethyl)-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCC3CCCCC3)c2c1
InChIInChI=1S/C17H23NO/c1-19-15-9-10-17-16(11-15)14(12-18-17)8-7-13-5-3-2-4-6-13/h9-13,18H,2-8H2,1H3
InChIKeyVZPGMCJUJDRBPT-UHFFFAOYSA-N
XLogP4.69
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
3-(cyclopentylmethyl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 162644334
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
3-[2-[4-(difluoromethoxymethyl)azepan-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862217
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-5-methoxy-1H-indole?
The IUPAC name of 3-(2-cyclohexylethyl)-5-methoxy-1H-indole (CID 106985417) is 3-(2-cyclohexylethyl)-5-methoxy-1H-indole.
What is the SMILES notation for 3-(2-cyclohexylethyl)-5-methoxy-1H-indole?
The canonical SMILES for 3-(2-cyclohexylethyl)-5-methoxy-1H-indole is COc1ccc2[nH]cc(CCC3CCCCC3)c2c1.
What is the InChIKey of 3-(2-cyclohexylethyl)-5-methoxy-1H-indole?
The InChIKey is VZPGMCJUJDRBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-19-15-9-10-17-16(11-15)14(12-18-17)8-7-13-5-3-2-4-6-13/h9-13,18H,2-8H2,1H3.
What are the key properties of 3-(2-cyclohexylethyl)-5-methoxy-1H-indole?
3-(2-cyclohexylethyl)-5-methoxy-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-5-methoxy-1H-indole is sourced from PubChem (CID 106985417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).