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

C26H25NO6 — CID 45259112

IUPAC3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
SMILESCOc1ccccc1OCCN1C(=O)C(O)(CC(=O)c2ccccc2OC)c2ccccc21
InChIInChI=1S/C26H25NO6/c1-31-22-12-6-3-9-18(22)21(28)17-26(30)19-10-4-5-11-20(19)27(25(26)29)15-16-33-24-14-8-7-13-23(24)32-2/h3-14,30H,15-17H2,1-2H3
InChIKeyFLWYHEOTALGMIU-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.59
Rot. Bonds9

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

3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one (PubChem CID 45259112) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
PubChem CID45259112
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
SMILESCOc1ccccc1OCCN1C(=O)C(O)(CC(=O)c2ccccc2OC)c2ccccc21
InChIInChI=1S/C26H25NO6/c1-31-22-12-6-3-9-18(22)21(28)17-26(30)19-10-4-5-11-20(19)27(25(26)29)15-16-33-24-14-8-7-13-23(24)32-2/h3-14,30H,15-17H2,1-2H3
InChIKeyFLWYHEOTALGMIU-UHFFFAOYSA-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

(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
(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-(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
(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
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17131946
(3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
CID 95244804
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-prop-2-ynylindol-2-one
CID 796057
4-[3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]butanenitrile
CID 2989913
3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
CID 66523118

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one (CID 45259112) is 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one is COc1ccccc1OCCN1C(=O)C(O)(CC(=O)c2ccccc2OC)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is FLWYHEOTALGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c1-31-22-12-6-3-9-18(22)21(28)17-26(30)19-10-4-5-11-20(19)27(25(26)29)15-16-33-24-14-8-7-13-23(24)32-2/h3-14,30H,15-17H2,1-2H3.
What are the key properties of 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one?
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-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 3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 45259112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).