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

C26H33NO4 — CID 18888365

IUPAC1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
SMILESCCCCCCOc1ccc(CN2C(=O)C(O)(CC(C)=O)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C26H33NO4/c1-5-6-7-8-13-31-22-11-9-21(10-12-22)17-27-24-19(3)14-18(2)15-23(24)26(30,25(27)29)16-20(4)28/h9-12,14-15,30H,5-8,13,16-17H2,1-4H3
InChIKeyFHSQMNROCVGQSX-UHFFFAOYSA-N
MW423.55 g/mol
LogP4.98
Rot. Bonds10

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

1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one (PubChem CID 18888365) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one.

Molecular Properties

Compound Name1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
PubChem CID18888365
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
SMILESCCCCCCOc1ccc(CN2C(=O)C(O)(CC(C)=O)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C26H33NO4/c1-5-6-7-8-13-31-22-11-9-21(10-12-22)17-27-24-19(3)14-18(2)15-23(24)26(30,25(27)29)16-20(4)28/h9-12,14-15,30H,5-8,13,16-17H2,1-4H3
InChIKeyFHSQMNROCVGQSX-UHFFFAOYSA-N
XLogP4.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-hydroxy-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 41254743
4,7-dichloro-1-[(4-hexoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888600
(3S)-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 41015525
1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888371
3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one
CID 18888342
3-hydroxy-7-methyl-1-nonyl-3-(2-oxopropyl)indol-2-one
CID 18888313
1'-[(4-hexoxyphenyl)methyl]-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177837
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
3-hydroxy-4,7-dimethyl-1-[(4-methylphenyl)methyl]-3-(2-oxopropyl)indol-2-one
CID 18888423
N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178621
4',7'-dimethyl-1'-[(4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177481
(3R)-1-butyl-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 41254776

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
The IUPAC name of 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one (CID 18888365) is 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one.
What is the SMILES notation for 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
The canonical SMILES for 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one is CCCCCCOc1ccc(CN2C(=O)C(O)(CC(C)=O)c3cc(C)cc(C)c32)cc1.
What is the InChIKey of 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
The InChIKey is FHSQMNROCVGQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-5-6-7-8-13-31-22-11-9-21(10-12-22)17-27-24-19(3)14-18(2)15-23(24)26(30,25(27)29)16-20(4)28/h9-12,14-15,30H,5-8,13,16-17H2,1-4H3.
What are the key properties of 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one?
1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one has a molecular weight of 423.55 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).