1-ethyl-4-phenylmethoxyindole

C17H17NO — CID 24776902

IUPAC1-ethyl-4-phenylmethoxyindole
SMILESCCn1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C17H17NO/c1-2-18-12-11-15-16(18)9-6-10-17(15)19-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKeyNPHAQRXZWSFEOK-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.24
Rot. Bonds4

About 1-ethyl-4-phenylmethoxyindole

1-ethyl-4-phenylmethoxyindole (PubChem CID 24776902) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-4-phenylmethoxyindole.

Molecular Properties

Compound Name1-ethyl-4-phenylmethoxyindole
PubChem CID24776902
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-ethyl-4-phenylmethoxyindole
SMILESCCn1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C17H17NO/c1-2-18-12-11-15-16(18)9-6-10-17(15)19-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKeyNPHAQRXZWSFEOK-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenylmethoxyindole?
The IUPAC name of 1-ethyl-4-phenylmethoxyindole (CID 24776902) is 1-ethyl-4-phenylmethoxyindole.
What is the SMILES notation for 1-ethyl-4-phenylmethoxyindole?
The canonical SMILES for 1-ethyl-4-phenylmethoxyindole is CCn1ccc2c(OCc3ccccc3)cccc21.
What is the InChIKey of 1-ethyl-4-phenylmethoxyindole?
The InChIKey is NPHAQRXZWSFEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-18-12-11-15-16(18)9-6-10-17(15)19-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3.
What are the key properties of 1-ethyl-4-phenylmethoxyindole?
1-ethyl-4-phenylmethoxyindole has a molecular weight of 251.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenylmethoxyindole is sourced from PubChem (CID 24776902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).