1-ethyl-5-methoxy-2-phenylindole

C17H17NO — CID 18944678

IUPAC1-ethyl-5-methoxy-2-phenylindole
SMILESCCn1c(-c2ccccc2)cc2cc(OC)ccc21
InChIInChI=1S/C17H17NO/c1-3-18-16-10-9-15(19-2)11-14(16)12-17(18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyRSJOYCGGYODQLG-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.34
Rot. Bonds3

About 1-ethyl-5-methoxy-2-phenylindole

1-ethyl-5-methoxy-2-phenylindole (PubChem CID 18944678) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-2-phenylindole.

Molecular Properties

Compound Name1-ethyl-5-methoxy-2-phenylindole
PubChem CID18944678
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-ethyl-5-methoxy-2-phenylindole
SMILESCCn1c(-c2ccccc2)cc2cc(OC)ccc21
InChIInChI=1S/C17H17NO/c1-3-18-16-10-9-15(19-2)11-14(16)12-17(18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyRSJOYCGGYODQLG-UHFFFAOYSA-N
XLogP4.34
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-2-phenylindole?
The IUPAC name of 1-ethyl-5-methoxy-2-phenylindole (CID 18944678) is 1-ethyl-5-methoxy-2-phenylindole.
What is the SMILES notation for 1-ethyl-5-methoxy-2-phenylindole?
The canonical SMILES for 1-ethyl-5-methoxy-2-phenylindole is CCn1c(-c2ccccc2)cc2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxy-2-phenylindole?
The InChIKey is RSJOYCGGYODQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-18-16-10-9-15(19-2)11-14(16)12-17(18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methoxy-2-phenylindole?
1-ethyl-5-methoxy-2-phenylindole has a molecular weight of 251.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-2-phenylindole is sourced from PubChem (CID 18944678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).