3-[(3-ethoxyphenyl)methyl]-1-phenylindole

C23H21NO — CID 26367926

IUPAC3-[(3-ethoxyphenyl)methyl]-1-phenylindole
SMILESCCOc1cccc(Cc2cn(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C23H21NO/c1-2-25-21-12-8-9-18(16-21)15-19-17-24(20-10-4-3-5-11-20)23-14-7-6-13-22(19)23/h3-14,16-17H,2,15H2,1H3
InChIKeyIKIFKAFELWUXMQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.62
Rot. Bonds5

About 3-[(3-ethoxyphenyl)methyl]-1-phenylindole

3-[(3-ethoxyphenyl)methyl]-1-phenylindole (PubChem CID 26367926) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methyl]-1-phenylindole.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methyl]-1-phenylindole
PubChem CID26367926
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name3-[(3-ethoxyphenyl)methyl]-1-phenylindole
SMILESCCOc1cccc(Cc2cn(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C23H21NO/c1-2-25-21-12-8-9-18(16-21)15-19-17-24(20-10-4-3-5-11-20)23-14-7-6-13-22(19)23/h3-14,16-17H,2,15H2,1H3
InChIKeyIKIFKAFELWUXMQ-UHFFFAOYSA-N
XLogP5.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methyl]-1-phenylindole?
The IUPAC name of 3-[(3-ethoxyphenyl)methyl]-1-phenylindole (CID 26367926) is 3-[(3-ethoxyphenyl)methyl]-1-phenylindole.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methyl]-1-phenylindole?
The canonical SMILES for 3-[(3-ethoxyphenyl)methyl]-1-phenylindole is CCOc1cccc(Cc2cn(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methyl]-1-phenylindole?
The InChIKey is IKIFKAFELWUXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-2-25-21-12-8-9-18(16-21)15-19-17-24(20-10-4-3-5-11-20)23-14-7-6-13-22(19)23/h3-14,16-17H,2,15H2,1H3.
What are the key properties of 3-[(3-ethoxyphenyl)methyl]-1-phenylindole?
3-[(3-ethoxyphenyl)methyl]-1-phenylindole has a molecular weight of 327.43 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methyl]-1-phenylindole is sourced from PubChem (CID 26367926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).