3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

C24H21NO4 — CID 3147814

IUPAC3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1O
InChIInChI=1S/C24H21NO4/c26-21-13-7-4-10-18(21)22(27)16-24(29)19-11-5-6-12-20(19)25(23(24)28)15-14-17-8-2-1-3-9-17/h1-13,26,29H,14-16H2
InChIKeyBZYJFMIVYYQOBK-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.44
Rot. Bonds6

About 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (PubChem CID 3147814) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
PubChem CID3147814
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1O
InChIInChI=1S/C24H21NO4/c26-21-13-7-4-10-18(21)22(27)16-24(29)19-11-5-6-12-20(19)25(23(24)28)15-14-17-8-2-1-3-9-17/h1-13,26,29H,14-16H2
InChIKeyBZYJFMIVYYQOBK-UHFFFAOYSA-N
XLogP3.44
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (CID 3147814) is 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1O.
What is the InChIKey of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The InChIKey is BZYJFMIVYYQOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-21-13-7-4-10-18(21)22(27)16-24(29)19-11-5-6-12-20(19)25(23(24)28)15-14-17-8-2-1-3-9-17/h1-13,26,29H,14-16H2.
What are the key properties of 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one has a molecular weight of 387.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 3147814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).