5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole

C20H17NO2 — CID 12737402

IUPAC5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole
SMILESCCOc1ccc2c3c(cccc13)N=C2c1ccc(OC)cc1
InChIInChI=1S/C20H17NO2/c1-3-23-18-12-11-16-19-15(18)5-4-6-17(19)21-20(16)13-7-9-14(22-2)10-8-13/h4-12H,3H2,1-2H3
InChIKeyJRGKZIXCHUSONL-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.73
Rot. Bonds4

About 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole

5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole (PubChem CID 12737402) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole.

Molecular Properties

Compound Name5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole
PubChem CID12737402
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole
SMILESCCOc1ccc2c3c(cccc13)N=C2c1ccc(OC)cc1
InChIInChI=1S/C20H17NO2/c1-3-23-18-12-11-16-19-15(18)5-4-6-17(19)21-20(16)13-7-9-14(22-2)10-8-13/h4-12H,3H2,1-2H3
InChIKeyJRGKZIXCHUSONL-UHFFFAOYSA-N
XLogP4.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole?
The IUPAC name of 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole (CID 12737402) is 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole.
What is the SMILES notation for 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole?
The canonical SMILES for 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole is CCOc1ccc2c3c(cccc13)N=C2c1ccc(OC)cc1.
What is the InChIKey of 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole?
The InChIKey is JRGKZIXCHUSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-3-23-18-12-11-16-19-15(18)5-4-6-17(19)21-20(16)13-7-9-14(22-2)10-8-13/h4-12H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole?
5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole has a molecular weight of 303.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-methoxyphenyl)benzo[cd]indole is sourced from PubChem (CID 12737402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).