potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone

C24H21KNO5+ — CID 75201586

IUPACpotassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone
SMILESCOc1cc(OC)c2c(-c3ccc(O)cc3)cn(CC(=O)c3ccc(O)cc3)c2c1.[K+]
InChIInChI=1S/C24H21NO5.K/c1-29-19-11-21-24(23(12-19)30-2)20(15-3-7-17(26)8-4-15)13-25(21)14-22(28)16-5-9-18(27)10-6-16;/h3-13,26-27H,14H2,1-2H3;/q;+1
InChIKeyQRIHMJJJRDDQFC-UHFFFAOYSA-N
MW442.53 g/mol
LogP1.62
Rot. Bonds6

About potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone

potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone (PubChem CID 75201586) has the molecular formula C24H21KNO5+ and a molecular weight of 442.53 g/mol. Its IUPAC name is potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone.

Molecular Properties

Compound Namepotassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone
PubChem CID75201586
Molecular FormulaC24H21KNO5+
Molecular Weight442.53 g/mol
Exact Mass442.11
IUPAC Namepotassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone
SMILESCOc1cc(OC)c2c(-c3ccc(O)cc3)cn(CC(=O)c3ccc(O)cc3)c2c1.[K+]
InChIInChI=1S/C24H21NO5.K/c1-29-19-11-21-24(23(12-19)30-2)20(15-3-7-17(26)8-4-15)13-25(21)14-22(28)16-5-9-18(27)10-6-16;/h3-13,26-27H,14H2,1-2H3;/q;+1
InChIKeyQRIHMJJJRDDQFC-UHFFFAOYSA-N
XLogP1.62
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone?
The IUPAC name of potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone (CID 75201586) is potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone.
What is the SMILES notation for potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone?
The canonical SMILES for potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone is COc1cc(OC)c2c(-c3ccc(O)cc3)cn(CC(=O)c3ccc(O)cc3)c2c1.[K+].
What is the InChIKey of potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone?
The InChIKey is QRIHMJJJRDDQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5.K/c1-29-19-11-21-24(23(12-19)30-2)20(15-3-7-17(26)8-4-15)13-25(21)14-22(28)16-5-9-18(27)10-6-16;/h3-13,26-27H,14H2,1-2H3;/q;+1.
What are the key properties of potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone?
potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone has a molecular weight of 442.53 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone is sourced from PubChem (CID 75201586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).