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

C18H16FNO5 — CID 92726677

IUPAC(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCOc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C18H16FNO5/c1-24-11-4-6-16(25-2)12(8-11)15(21)9-18(23)13-7-10(19)3-5-14(13)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyDKHMEMQKKWODFS-GOSISDBHSA-N
MW345.33 g/mol
LogP2.26
Rot. Bonds5

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

(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 92726677) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID92726677
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESCOc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C18H16FNO5/c1-24-11-4-6-16(25-2)12(8-11)15(21)9-18(23)13-7-10(19)3-5-14(13)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyDKHMEMQKKWODFS-GOSISDBHSA-N
XLogP2.26
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one with MolForge

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Related Compounds

(3S)-5-chloro-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39352069
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
CID 2976940
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
(3R)-3-(3,3-dimethoxy-2-oxopropyl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 102435621
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one
CID 2965858
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-5-methoxy-1H-indol-2-one
CID 1425954

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one (CID 92726677) is (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one is COc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)c1.
What is the InChIKey of (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is DKHMEMQKKWODFS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FNO5/c1-24-11-4-6-16(25-2)12(8-11)15(21)9-18(23)13-7-10(19)3-5-14(13)20-17(18)22/h3-8,23H,9H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 345.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 92726677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).