2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone

C23H19NO4 — CID 118535572

IUPAC2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2O)c2ccc(CO)cc21)c1ccccc1O
InChIInChI=1S/C23H19NO4/c25-14-15-9-10-16-19(17-5-1-3-7-21(17)26)12-24(20(16)11-15)13-23(28)18-6-2-4-8-22(18)27/h1-12,25-27H,13-14H2
InChIKeyTZAHDGMSHWNOOA-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.09
Rot. Bonds5

About 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone

2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone (PubChem CID 118535572) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone
PubChem CID118535572
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2O)c2ccc(CO)cc21)c1ccccc1O
InChIInChI=1S/C23H19NO4/c25-14-15-9-10-16-19(17-5-1-3-7-21(17)26)12-24(20(16)11-15)13-23(28)18-6-2-4-8-22(18)27/h1-12,25-27H,13-14H2
InChIKeyTZAHDGMSHWNOOA-UHFFFAOYSA-N
XLogP4.09
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone (CID 118535572) is 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone is O=C(Cn1cc(-c2ccccc2O)c2ccc(CO)cc21)c1ccccc1O.
What is the InChIKey of 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone?
The InChIKey is TZAHDGMSHWNOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-14-15-9-10-16-19(17-5-1-3-7-21(17)26)12-24(20(16)11-15)13-23(28)18-6-2-4-8-22(18)27/h1-12,25-27H,13-14H2.
What are the key properties of 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone?
2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone has a molecular weight of 373.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-3-(2-hydroxyphenyl)indol-1-yl]-1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 118535572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).