[2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C25H23NO5 — CID 71544695

IUPAC[2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2[nH]c3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H23NO5/c1-28-17-11-9-15(10-12-17)23-22(18-7-5-6-8-19(18)26-23)24(27)16-13-20(29-2)25(31-4)21(14-16)30-3/h5-14,26H,1-4H3
InChIKeyKQMVVEPCZZNKBU-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.10
Rot. Bonds7

About [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71544695) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71544695
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2[nH]c3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H23NO5/c1-28-17-11-9-15(10-12-17)23-22(18-7-5-6-8-19(18)26-23)24(27)16-13-20(29-2)25(31-4)21(14-16)30-3/h5-14,26H,1-4H3
InChIKeyKQMVVEPCZZNKBU-UHFFFAOYSA-N
XLogP5.10
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 71544695) is [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2[nH]c3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KQMVVEPCZZNKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-28-17-11-9-15(10-12-17)23-22(18-7-5-6-8-19(18)26-23)24(27)16-13-20(29-2)25(31-4)21(14-16)30-3/h5-14,26H,1-4H3.
What are the key properties of [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 417.46 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71544695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).