1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one

C23H25NO5 — CID 18888371

IUPAC1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCOc2ccc(C(C)=O)cc2)c2c(C)cc(C)cc21
InChIInChI=1S/C23H25NO5/c1-14-11-15(2)21-20(12-14)23(28,13-16(3)25)22(27)24(21)9-10-29-19-7-5-18(6-8-19)17(4)26/h5-8,11-12,28H,9-10,13H2,1-4H3
InChIKeyMQGCMJXDFLXMDN-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.10
Rot. Bonds7

About 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one

1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one (PubChem CID 18888371) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
PubChem CID18888371
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
SMILESCC(=O)CC1(O)C(=O)N(CCOc2ccc(C(C)=O)cc2)c2c(C)cc(C)cc21
InChIInChI=1S/C23H25NO5/c1-14-11-15(2)21-20(12-14)23(28,13-16(3)25)22(27)24(21)9-10-29-19-7-5-18(6-8-19)17(4)26/h5-8,11-12,28H,9-10,13H2,1-4H3
InChIKeyMQGCMJXDFLXMDN-UHFFFAOYSA-N
XLogP3.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 41254743
(3S)-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 41015525
3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one
CID 18888342
1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888365
6,7-dichloro-3-hydroxy-1-[3-(4-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 18888687
(3S)-3-hydroxy-5-methyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 7444681
1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
CID 139985290
3-hydroxy-1-[2-(4-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]indol-2-one
CID 17172772
5-bromo-3-hydroxy-1-(2-naphthalen-2-yloxyethyl)-3-(2-oxopropyl)indol-2-one
CID 18888736
1'-[3-(4-methoxyphenoxy)propyl]-5',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178043
3-hydroxy-1-[2-(3-methylphenoxy)ethyl]-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 17172733
1'-[2-(4-acetylphenoxy)ethyl]-7'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178173

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one (CID 18888371) is 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one is CC(=O)CC1(O)C(=O)N(CCOc2ccc(C(C)=O)cc2)c2c(C)cc(C)cc21.
What is the InChIKey of 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
The InChIKey is MQGCMJXDFLXMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-14-11-15(2)21-20(12-14)23(28,13-16(3)25)22(27)24(21)9-10-29-19-7-5-18(6-8-19)17(4)26/h5-8,11-12,28H,9-10,13H2,1-4H3.
What are the key properties of 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one has a molecular weight of 395.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).