methyl 4-(4-methoxyindol-1-yl)butanoate

C14H17NO3 — CID 83163082

IUPACmethyl 4-(4-methoxyindol-1-yl)butanoate
SMILESCOC(=O)CCCn1ccc2c(OC)cccc21
InChIInChI=1S/C14H17NO3/c1-17-13-6-3-5-12-11(13)8-10-15(12)9-4-7-14(16)18-2/h3,5-6,8,10H,4,7,9H2,1-2H3
InChIKeyGHFULJKNCBPTJJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.60
Rot. Bonds5

About methyl 4-(4-methoxyindol-1-yl)butanoate

methyl 4-(4-methoxyindol-1-yl)butanoate (PubChem CID 83163082) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 4-(4-methoxyindol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyindol-1-yl)butanoate
PubChem CID83163082
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 4-(4-methoxyindol-1-yl)butanoate
SMILESCOC(=O)CCCn1ccc2c(OC)cccc21
InChIInChI=1S/C14H17NO3/c1-17-13-6-3-5-12-11(13)8-10-15(12)9-4-7-14(16)18-2/h3,5-6,8,10H,4,7,9H2,1-2H3
InChIKeyGHFULJKNCBPTJJ-UHFFFAOYSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4-methoxyindol-1-yl)butanoate 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

methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
1-heptyl-4-methoxyindole
CID 83174164
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyindol-1-yl)butanoate?
The IUPAC name of methyl 4-(4-methoxyindol-1-yl)butanoate (CID 83163082) is methyl 4-(4-methoxyindol-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4-methoxyindol-1-yl)butanoate?
The canonical SMILES for methyl 4-(4-methoxyindol-1-yl)butanoate is COC(=O)CCCn1ccc2c(OC)cccc21.
What is the InChIKey of methyl 4-(4-methoxyindol-1-yl)butanoate?
The InChIKey is GHFULJKNCBPTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-13-6-3-5-12-11(13)8-10-15(12)9-4-7-14(16)18-2/h3,5-6,8,10H,4,7,9H2,1-2H3.
What are the key properties of methyl 4-(4-methoxyindol-1-yl)butanoate?
methyl 4-(4-methoxyindol-1-yl)butanoate has a molecular weight of 247.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyindol-1-yl)butanoate is sourced from PubChem (CID 83163082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).