(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one

C17H15NO3 — CID 682358

IUPAC(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1)C(=O)N2
InChIInChI=1S/C17H15NO3/c1-11-7-8-14-13(9-11)17(21,16(20)18-14)10-15(19)12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,18,20)/t17-/m1/s1
InChIKeyJVXZNLOGZFTKPU-QGZVFWFLSA-N
MW281.31 g/mol
LogP2.41
Rot. Bonds3

About (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one

(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one (PubChem CID 682358) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
PubChem CID682358
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1)C(=O)N2
InChIInChI=1S/C17H15NO3/c1-11-7-8-14-13(9-11)17(21,16(20)18-14)10-15(19)12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,18,20)/t17-/m1/s1
InChIKeyJVXZNLOGZFTKPU-QGZVFWFLSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 1320855
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764
3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 3149315
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
CID 957709
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 6977392
(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 1075623
(3aR,7aS)-2-[3-[2-[(3R)-3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl]acetyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98157789

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one (CID 682358) is (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one is Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1)C(=O)N2.
What is the InChIKey of (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one?
The InChIKey is JVXZNLOGZFTKPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-7-8-14-13(9-11)17(21,16(20)18-14)10-15(19)12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,18,20)/t17-/m1/s1.
What are the key properties of (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one?
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one is sourced from PubChem (CID 682358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).