ethyl 4-(1-benzylindol-3-yl)benzoate

C24H21NO2 — CID 118714099

IUPACethyl 4-(1-benzylindol-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3
InChIKeyVFHUVLOTZSSZDR-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.53
Rot. Bonds5

About ethyl 4-(1-benzylindol-3-yl)benzoate

ethyl 4-(1-benzylindol-3-yl)benzoate (PubChem CID 118714099) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 4-(1-benzylindol-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-benzylindol-3-yl)benzoate
PubChem CID118714099
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Nameethyl 4-(1-benzylindol-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3
InChIKeyVFHUVLOTZSSZDR-UHFFFAOYSA-N
XLogP5.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzylindol-3-yl)benzoate?
The IUPAC name of ethyl 4-(1-benzylindol-3-yl)benzoate (CID 118714099) is ethyl 4-(1-benzylindol-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(1-benzylindol-3-yl)benzoate?
The canonical SMILES for ethyl 4-(1-benzylindol-3-yl)benzoate is CCOC(=O)c1ccc(-c2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of ethyl 4-(1-benzylindol-3-yl)benzoate?
The InChIKey is VFHUVLOTZSSZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3.
What are the key properties of ethyl 4-(1-benzylindol-3-yl)benzoate?
ethyl 4-(1-benzylindol-3-yl)benzoate has a molecular weight of 355.44 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzylindol-3-yl)benzoate is sourced from PubChem (CID 118714099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).