(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one

C26H25NO6 — CID 95244773

IUPAC(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
SMILESCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3OC)c3ccccc32)cc1
InChIInChI=1S/C26H25NO6/c1-31-19-13-11-18(12-14-19)22(28)17-26(30)20-7-3-4-8-21(20)27(25(26)29)15-16-33-24-10-6-5-9-23(24)32-2/h3-14,30H,15-17H2,1-2H3/t26-/m1/s1
InChIKeyMLXIYRUCRGXVSH-AREMUKBSSA-N
MW447.49 g/mol
LogP3.59
Rot. Bonds9

About (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one

(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one (PubChem CID 95244773) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
PubChem CID95244773
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
SMILESCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3OC)c3ccccc32)cc1
InChIInChI=1S/C26H25NO6/c1-31-19-13-11-18(12-14-19)22(28)17-26(30)20-7-3-4-8-21(20)27(25(26)29)15-16-33-24-10-6-5-9-23(24)32-2/h3-14,30H,15-17H2,1-2H3/t26-/m1/s1
InChIKeyMLXIYRUCRGXVSH-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

Analyze (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one with MolForge

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Related Compounds

(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 95244780
(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
(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 40899465
(3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
CID 95244804
(3R)-3-hydroxy-1-[2-(2-methylphenoxy)ethyl]-3-phenacylindol-2-one
CID 41089534
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 45259116
(3S)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244744
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylindol-2-one
CID 3150787
(3S)-1-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 7281128

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one (CID 95244773) is (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one is COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3OC)c3ccccc32)cc1.
What is the InChIKey of (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is MLXIYRUCRGXVSH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25NO6/c1-31-19-13-11-18(12-14-19)22(28)17-26(30)20-7-3-4-8-21(20)27(25(26)29)15-16-33-24-10-6-5-9-23(24)32-2/h3-14,30H,15-17H2,1-2H3/t26-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one?
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]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-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 95244773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).