(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one

C24H21NO3 — CID 1075623

IUPAC(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
SMILESCCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2
InChIInChI=1S/C24H21NO3/c1-2-16-8-13-21-20(14-16)24(28,23(27)25-21)15-22(26)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14,28H,2,15H2,1H3,(H,25,27)/t24-/m0/s1
InChIKeyBJXOBCWSRQOCNX-DEOSSOPVSA-N
MW371.44 g/mol
LogP4.33
Rot. Bonds5

About (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one

(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one (PubChem CID 1075623) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
PubChem CID1075623
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
SMILESCCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2
InChIInChI=1S/C24H21NO3/c1-2-16-8-13-21-20(14-16)24(28,23(27)25-21)15-22(26)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14,28H,2,15H2,1H3,(H,25,27)/t24-/m0/s1
InChIKeyBJXOBCWSRQOCNX-DEOSSOPVSA-N
XLogP4.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 2860905
(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 6977392
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 9350127
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 9350130
(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
CID 3782803
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611

Frequently Asked Questions

What is the IUPAC name of (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one (CID 1075623) is (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one is CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2.
What is the InChIKey of (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is BJXOBCWSRQOCNX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-16-8-13-21-20(14-16)24(28,23(27)25-21)15-22(26)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14,28H,2,15H2,1H3,(H,25,27)/t24-/m0/s1.
What are the key properties of (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 371.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 1075623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).