5-methyl-1-(phenylmethoxymethyl)indole

C17H17NO — CID 102940732

IUPAC5-methyl-1-(phenylmethoxymethyl)indole
SMILESCc1ccc2c(ccn2COCc2ccccc2)c1
InChIInChI=1S/C17H17NO/c1-14-7-8-17-16(11-14)9-10-18(17)13-19-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyNMYVOLMCUGXYGO-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.12
Rot. Bonds4

About 5-methyl-1-(phenylmethoxymethyl)indole

5-methyl-1-(phenylmethoxymethyl)indole (PubChem CID 102940732) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-1-(phenylmethoxymethyl)indole.

Molecular Properties

Compound Name5-methyl-1-(phenylmethoxymethyl)indole
PubChem CID102940732
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-methyl-1-(phenylmethoxymethyl)indole
SMILESCc1ccc2c(ccn2COCc2ccccc2)c1
InChIInChI=1S/C17H17NO/c1-14-7-8-17-16(11-14)9-10-18(17)13-19-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyNMYVOLMCUGXYGO-UHFFFAOYSA-N
XLogP4.12
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(phenylmethoxymethyl)indole?
The IUPAC name of 5-methyl-1-(phenylmethoxymethyl)indole (CID 102940732) is 5-methyl-1-(phenylmethoxymethyl)indole.
What is the SMILES notation for 5-methyl-1-(phenylmethoxymethyl)indole?
The canonical SMILES for 5-methyl-1-(phenylmethoxymethyl)indole is Cc1ccc2c(ccn2COCc2ccccc2)c1.
What is the InChIKey of 5-methyl-1-(phenylmethoxymethyl)indole?
The InChIKey is NMYVOLMCUGXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-14-7-8-17-16(11-14)9-10-18(17)13-19-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of 5-methyl-1-(phenylmethoxymethyl)indole?
5-methyl-1-(phenylmethoxymethyl)indole has a molecular weight of 251.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(phenylmethoxymethyl)indole is sourced from PubChem (CID 102940732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).