3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one

C26H25NO4 — CID 17131925

IUPAC3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
SMILESCc1ccc(C)c(C(=O)CC2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H25NO4/c1-18-12-13-19(2)21(16-18)24(28)17-26(30)22-10-6-7-11-23(22)27(25(26)29)14-15-31-20-8-4-3-5-9-20/h3-13,16,30H,14-15,17H2,1-2H3
InChIKeyVHIOZNQLDCYDJP-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.19
Rot. Bonds7

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

3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one (PubChem CID 17131925) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
PubChem CID17131925
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
SMILESCc1ccc(C)c(C(=O)CC2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H25NO4/c1-18-12-13-19(2)21(16-18)24(28)17-26(30)22-10-6-7-11-23(22)27(25(26)29)14-15-31-20-8-4-3-5-9-20/h3-13,16,30H,14-15,17H2,1-2H3
InChIKeyVHIOZNQLDCYDJP-UHFFFAOYSA-N
XLogP4.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 17172772
3-hydroxy-1-[2-(3-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 17172733
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
CID 17131923
(3R)-1-[(2,5-dimethylphenyl)methyl]-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 7282082
(3R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 806539
(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 40899465
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 17131930
(3S)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244744
(3R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7334070
(3R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 40796601
(3S)-3-hydroxy-5-methyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 7444681
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17131946

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one (CID 17131925) is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one is Cc1ccc(C)c(C(=O)CC2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
The InChIKey is VHIOZNQLDCYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-18-12-13-19(2)21(16-18)24(28)17-26(30)22-10-6-7-11-23(22)27(25(26)29)14-15-31-20-8-4-3-5-9-20/h3-13,16,30H,14-15,17H2,1-2H3.
What are the key properties of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one?
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one has a molecular weight of 415.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one is sourced from PubChem (CID 17131925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).