(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C18H16ClNO3 — CID 957686

IUPAC(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCc1ccc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c1
InChIInChI=1S/C18H16ClNO3/c1-10-3-4-11(2)13(7-10)16(21)9-18(23)14-8-12(19)5-6-15(14)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyMIZPJGWNKUMJFK-GOSISDBHSA-N
MW329.78 g/mol
LogP3.37
Rot. Bonds3

About (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 957686) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID957686
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCc1ccc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c1
InChIInChI=1S/C18H16ClNO3/c1-10-3-4-11(2)13(7-10)16(21)9-18(23)14-8-12(19)5-6-15(14)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyMIZPJGWNKUMJFK-GOSISDBHSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 46360603
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2796418
N-[2-[2-[(3S)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 40840243
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 9350130
(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
(3R)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 796025
(3R)-5-chloro-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one
CID 39350228
(3R)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886897
(3S)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886898
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 957686) is (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c1.
What is the InChIKey of (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is MIZPJGWNKUMJFK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-10-3-4-11(2)13(7-10)16(21)9-18(23)14-8-12(19)5-6-15(14)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 329.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 957686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).