5-methoxy-6-phenylmethoxy-1H-indole

C16H15NO2 — CID 17051

IUPAC5-methoxy-6-phenylmethoxy-1H-indole
SMILESCOc1cc2cc[nH]c2cc1OCc1ccccc1
InChIInChI=1S/C16H15NO2/c1-18-15-9-13-7-8-17-14(13)10-16(15)19-11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
InChIKeyYPRAMYRRNNYGSE-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.76
Rot. Bonds4

About 5-methoxy-6-phenylmethoxy-1H-indole

5-methoxy-6-phenylmethoxy-1H-indole (PubChem CID 17051) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-6-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name5-methoxy-6-phenylmethoxy-1H-indole
PubChem CID17051
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methoxy-6-phenylmethoxy-1H-indole
SMILESCOc1cc2cc[nH]c2cc1OCc1ccccc1
InChIInChI=1S/C16H15NO2/c1-18-15-9-13-7-8-17-14(13)10-16(15)19-11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
InChIKeyYPRAMYRRNNYGSE-UHFFFAOYSA-N
XLogP3.76
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pindolol
CID 4828
O-Methylbufotenine
CID 1832
5-Methoxytryptamine
CID 1833
6-Hydroxymelatonin
CID 1864
Idalopirdine
CID 21071390
Oxypertine
CID 4640
5,6-Dihydroxyindole
CID 114683
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxytryptophol
CID 12835
N-Feruloyl Serotonin
CID 5969616
(-)-Pindolol
CID 688095

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenylmethoxy-1H-indole?
The IUPAC name of 5-methoxy-6-phenylmethoxy-1H-indole (CID 17051) is 5-methoxy-6-phenylmethoxy-1H-indole.
What is the SMILES notation for 5-methoxy-6-phenylmethoxy-1H-indole?
The canonical SMILES for 5-methoxy-6-phenylmethoxy-1H-indole is COc1cc2cc[nH]c2cc1OCc1ccccc1.
What is the InChIKey of 5-methoxy-6-phenylmethoxy-1H-indole?
The InChIKey is YPRAMYRRNNYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-15-9-13-7-8-17-14(13)10-16(15)19-11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3.
What are the key properties of 5-methoxy-6-phenylmethoxy-1H-indole?
5-methoxy-6-phenylmethoxy-1H-indole has a molecular weight of 253.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenylmethoxy-1H-indole is sourced from PubChem (CID 17051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).