[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate

C26H23NO5 — CID 1205402

IUPAC[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)COc4ccccc4)ccc32)cc1
InChIInChI=1S/C26H23NO5/c1-17-26(18(2)28)23-15-22(32-25(29)16-31-21-7-5-4-6-8-21)13-14-24(23)27(17)19-9-11-20(30-3)12-10-19/h4-15H,16H2,1-3H3
InChIKeyOLEQCNOJJJGQKW-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.13
Rot. Bonds7

About [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate

[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate (PubChem CID 1205402) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate.

Molecular Properties

Compound Name[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate
PubChem CID1205402
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate
SMILESCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)COc4ccccc4)ccc32)cc1
InChIInChI=1S/C26H23NO5/c1-17-26(18(2)28)23-15-22(32-25(29)16-31-21-7-5-4-6-8-21)13-14-24(23)27(17)19-9-11-20(30-3)12-10-19/h4-15H,16H2,1-3H3
InChIKeyOLEQCNOJJJGQKW-UHFFFAOYSA-N
XLogP5.13
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate 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

Acemetacin
CID 1981
Varespladib
CID 155815
Varespladib Methyl
CID 9886917
Mk-0533
CID 11678534
Mrl24
CID 9958543
Iodoindomethacin
CID 447835
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957
Ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 628089
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669
Cinmetacin
CID 6433761
Me-indoxam
CID 9803388

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate?
The IUPAC name of [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate (CID 1205402) is [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate.
What is the SMILES notation for [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate?
The canonical SMILES for [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate is COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)COc4ccccc4)ccc32)cc1.
What is the InChIKey of [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate?
The InChIKey is OLEQCNOJJJGQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-17-26(18(2)28)23-15-22(32-25(29)16-31-21-7-5-4-6-8-21)13-14-24(23)27(17)19-9-11-20(30-3)12-10-19/h4-15H,16H2,1-3H3.
What are the key properties of [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate?
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate has a molecular weight of 429.47 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-phenoxyacetate is sourced from PubChem (CID 1205402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).