3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one

C28H29NO4 — CID 17172772

IUPAC3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
SMILESCc1ccc(OCCN2C(=O)C(O)(CC(=O)c3cc(C)c(C)cc3C)c3ccccc32)cc1
InChIInChI=1S/C28H29NO4/c1-18-9-11-22(12-10-18)33-14-13-29-25-8-6-5-7-24(25)28(32,27(29)31)17-26(30)23-16-20(3)19(2)15-21(23)4/h5-12,15-16,32H,13-14,17H2,1-4H3
InChIKeyDCIPWMIDYOTACG-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.81
Rot. Bonds7

About 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one

3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one (PubChem CID 17172772) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
PubChem CID17172772
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
SMILESCc1ccc(OCCN2C(=O)C(O)(CC(=O)c3cc(C)c(C)cc3C)c3ccccc32)cc1
InChIInChI=1S/C28H29NO4/c1-18-9-11-22(12-10-18)33-14-13-29-25-8-6-5-7-24(25)28(32,27(29)31)17-26(30)23-16-20(3)19(2)15-21(23)4/h5-12,15-16,32H,13-14,17H2,1-4H3
InChIKeyDCIPWMIDYOTACG-UHFFFAOYSA-N
XLogP4.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 17131925
(3S)-1-[2-(4-chlorophenoxy)ethyl]-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244744
(3R)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
CID 95244802
(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 40899465
3-hydroxy-1-[2-(3-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 17172733
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
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
CID 17131923
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[2-(2-methylphenoxy)ethyl]indol-2-one
CID 17131946
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244773
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 17131930
(3S)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 40874882

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one?
The IUPAC name of 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one (CID 17172772) is 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one?
The canonical SMILES for 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one is Cc1ccc(OCCN2C(=O)C(O)(CC(=O)c3cc(C)c(C)cc3C)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one?
The InChIKey is DCIPWMIDYOTACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c1-18-9-11-22(12-10-18)33-14-13-29-25-8-6-5-7-24(25)28(32,27(29)31)17-26(30)23-16-20(3)19(2)15-21(23)4/h5-12,15-16,32H,13-14,17H2,1-4H3.
What are the key properties of 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one?
3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one has a molecular weight of 443.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one is sourced from PubChem (CID 17172772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).