methyl 3-(4-methoxyindol-1-yl)propanoate

C13H15NO3 — CID 83162468

IUPACmethyl 3-(4-methoxyindol-1-yl)propanoate
SMILESCOC(=O)CCn1ccc2c(OC)cccc21
InChIInChI=1S/C13H15NO3/c1-16-12-5-3-4-11-10(12)6-8-14(11)9-7-13(15)17-2/h3-6,8H,7,9H2,1-2H3
InChIKeyQHHFXLUDPOVQRT-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.21
Rot. Bonds4

About methyl 3-(4-methoxyindol-1-yl)propanoate

methyl 3-(4-methoxyindol-1-yl)propanoate (PubChem CID 83162468) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 3-(4-methoxyindol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyindol-1-yl)propanoate
PubChem CID83162468
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 3-(4-methoxyindol-1-yl)propanoate
SMILESCOC(=O)CCn1ccc2c(OC)cccc21
InChIInChI=1S/C13H15NO3/c1-16-12-5-3-4-11-10(12)6-8-14(11)9-7-13(15)17-2/h3-6,8H,7,9H2,1-2H3
InChIKeyQHHFXLUDPOVQRT-UHFFFAOYSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
1-heptyl-4-methoxyindole
CID 83174164
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
CID 124846597
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyindol-1-yl)propanoate?
The IUPAC name of methyl 3-(4-methoxyindol-1-yl)propanoate (CID 83162468) is methyl 3-(4-methoxyindol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-methoxyindol-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-methoxyindol-1-yl)propanoate is COC(=O)CCn1ccc2c(OC)cccc21.
What is the InChIKey of methyl 3-(4-methoxyindol-1-yl)propanoate?
The InChIKey is QHHFXLUDPOVQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-12-5-3-4-11-10(12)6-8-14(11)9-7-13(15)17-2/h3-6,8H,7,9H2,1-2H3.
What are the key properties of methyl 3-(4-methoxyindol-1-yl)propanoate?
methyl 3-(4-methoxyindol-1-yl)propanoate has a molecular weight of 233.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyindol-1-yl)propanoate is sourced from PubChem (CID 83162468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).