(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one

C26H25NO6 — CID 40899465

IUPAC(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
SMILESCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)cc1OC
InChIInChI=1S/C26H25NO6/c1-31-23-13-12-18(16-24(23)32-2)22(28)17-26(30)20-10-6-7-11-21(20)27(25(26)29)14-15-33-19-8-4-3-5-9-19/h3-13,16,30H,14-15,17H2,1-2H3/t26-/m1/s1
InChIKeyASDYZCUDUJIBFQ-AREMUKBSSA-N
MW447.49 g/mol
LogP3.59
Rot. Bonds9

About (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one

(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one (PubChem CID 40899465) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
PubChem CID40899465
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
SMILESCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)cc1OC
InChIInChI=1S/C26H25NO6/c1-31-23-13-12-18(16-24(23)32-2)22(28)17-26(30)20-10-6-7-11-21(20)27(25(26)29)14-15-33-19-8-4-3-5-9-19/h3-13,16,30H,14-15,17H2,1-2H3/t26-/m1/s1
InChIKeyASDYZCUDUJIBFQ-AREMUKBSSA-N
XLogP3.59
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909744
(3S)-1-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 7281128
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244773
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 95244780
(3R)-1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2208142
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 17131930
(3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
CID 95244804
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
CID 95244802
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
(3S)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244744
3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 17172772

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
The IUPAC name of (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one (CID 40899465) is (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one.
What is the SMILES notation for (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
The canonical SMILES for (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one is COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)cc1OC.
What is the InChIKey of (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
The InChIKey is ASDYZCUDUJIBFQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25NO6/c1-31-23-13-12-18(16-24(23)32-2)22(28)17-26(30)20-10-6-7-11-21(20)27(25(26)29)14-15-33-19-8-4-3-5-9-19/h3-13,16,30H,14-15,17H2,1-2H3/t26-/m1/s1.
What are the key properties of (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one has a molecular weight of 447.49 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one is sourced from PubChem (CID 40899465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).