(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one

C17H15NO4 — CID 798514

IUPAC(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1O)C(=O)N2
InChIInChI=1S/C17H15NO4/c1-10-6-7-13-12(8-10)17(22,16(21)18-13)9-15(20)11-4-2-3-5-14(11)19/h2-8,19,22H,9H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyLGSSSNYJVWWDRT-QGZVFWFLSA-N
MW297.31 g/mol
LogP2.11
Rot. Bonds3

About (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one

(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one (PubChem CID 798514) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
PubChem CID798514
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1O)C(=O)N2
InChIInChI=1S/C17H15NO4/c1-10-6-7-13-12(8-10)17(22,16(21)18-13)9-15(20)11-4-2-3-5-14(11)19/h2-8,19,22H,9H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyLGSSSNYJVWWDRT-QGZVFWFLSA-N
XLogP2.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one (CID 798514) is (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1O)C(=O)N2.
What is the InChIKey of (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
The InChIKey is LGSSSNYJVWWDRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10-6-7-13-12(8-10)17(22,16(21)18-13)9-15(20)11-4-2-3-5-14(11)19/h2-8,19,22H,9H2,1H3,(H,18,21)/t17-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 798514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).