6-methoxy-1-(oxan-4-ylmethyl)indole

C15H19NO2 — CID 171704295

IUPAC6-methoxy-1-(oxan-4-ylmethyl)indole
SMILESCOc1ccc2ccn(CC3CCOCC3)c2c1
InChIInChI=1S/C15H19NO2/c1-17-14-3-2-13-4-7-16(15(13)10-14)11-12-5-8-18-9-6-12/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyZLPHHKHKIWFPAB-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds3

About 6-methoxy-1-(oxan-4-ylmethyl)indole

6-methoxy-1-(oxan-4-ylmethyl)indole (PubChem CID 171704295) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-methoxy-1-(oxan-4-ylmethyl)indole.

Molecular Properties

Compound Name6-methoxy-1-(oxan-4-ylmethyl)indole
PubChem CID171704295
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-methoxy-1-(oxan-4-ylmethyl)indole
SMILESCOc1ccc2ccn(CC3CCOCC3)c2c1
InChIInChI=1S/C15H19NO2/c1-17-14-3-2-13-4-7-16(15(13)10-14)11-12-5-8-18-9-6-12/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyZLPHHKHKIWFPAB-UHFFFAOYSA-N
XLogP3.08
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(oxan-4-ylmethyl)indole
CID 116619540
5-bromo-6-fluoro-1-(oxan-4-ylmethyl)indole
CID 171037206
1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine
CID 141163156
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
CID 67456897
4-ethoxy-1-(oxan-4-ylmethyl)indole
CID 83174245
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
1-(cyclobutylmethyl)indol-6-amine
CID 65457807
6-methoxyindol-1-amine
CID 11816030
1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile
CID 21201418
1-(2,2-dimethylpropyl)-6-(oxan-4-yl)indole
CID 175920984

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(oxan-4-ylmethyl)indole?
The IUPAC name of 6-methoxy-1-(oxan-4-ylmethyl)indole (CID 171704295) is 6-methoxy-1-(oxan-4-ylmethyl)indole.
What is the SMILES notation for 6-methoxy-1-(oxan-4-ylmethyl)indole?
The canonical SMILES for 6-methoxy-1-(oxan-4-ylmethyl)indole is COc1ccc2ccn(CC3CCOCC3)c2c1.
What is the InChIKey of 6-methoxy-1-(oxan-4-ylmethyl)indole?
The InChIKey is ZLPHHKHKIWFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-17-14-3-2-13-4-7-16(15(13)10-14)11-12-5-8-18-9-6-12/h2-4,7,10,12H,5-6,8-9,11H2,1H3.
What are the key properties of 6-methoxy-1-(oxan-4-ylmethyl)indole?
6-methoxy-1-(oxan-4-ylmethyl)indole has a molecular weight of 245.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(oxan-4-ylmethyl)indole is sourced from PubChem (CID 171704295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).