1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone

C24H21NO3 — CID 132601706

IUPAC1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(OC)cc4)cc3c2)cc1
InChIInChI=1S/C24H21NO3/c1-15(26)22-13-18(16-4-8-20(27-2)9-5-16)12-19-14-23(25-24(19)22)17-6-10-21(28-3)11-7-17/h4-14,25H,1-3H3
InChIKeyMDEALKOBRXFSTN-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.72
Rot. Bonds5

About 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone

1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone (PubChem CID 132601706) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone.

Molecular Properties

Compound Name1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone
PubChem CID132601706
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(OC)cc4)cc3c2)cc1
InChIInChI=1S/C24H21NO3/c1-15(26)22-13-18(16-4-8-20(27-2)9-5-16)12-19-14-23(25-24(19)22)17-6-10-21(28-3)11-7-17/h4-14,25H,1-3H3
InChIKeyMDEALKOBRXFSTN-UHFFFAOYSA-N
XLogP5.72
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
The IUPAC name of 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone (CID 132601706) is 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone.
What is the SMILES notation for 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
The canonical SMILES for 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone is COc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(OC)cc4)cc3c2)cc1.
What is the InChIKey of 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
The InChIKey is MDEALKOBRXFSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-15(26)22-13-18(16-4-8-20(27-2)9-5-16)12-19-14-23(25-24(19)22)17-6-10-21(28-3)11-7-17/h4-14,25H,1-3H3.
What are the key properties of 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(4-methoxyphenyl)-1H-indol-7-yl]ethanone is sourced from PubChem (CID 132601706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).