(4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate

C18H17NO3 — CID 2541023

IUPAC(4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17NO3/c1-21-14-7-9-15(10-8-14)22-18(20)11-6-13-12-19-17-5-3-2-4-16(13)17/h2-5,7-10,12,19H,6,11H2,1H3
InChIKeyRYXYZTPMAHBIEF-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.71
Rot. Bonds5

About (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate

(4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate (PubChem CID 2541023) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate
PubChem CID2541023
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate
SMILESCOc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17NO3/c1-21-14-7-9-15(10-8-14)22-18(20)11-6-13-12-19-17-5-3-2-4-16(13)17/h2-5,7-10,12,19H,6,11H2,1H3
InChIKeyRYXYZTPMAHBIEF-UHFFFAOYSA-N
XLogP3.71
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate (CID 2541023) is (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate is COc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate?
The InChIKey is RYXYZTPMAHBIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-14-7-9-15(10-8-14)22-18(20)11-6-13-12-19-17-5-3-2-4-16(13)17/h2-5,7-10,12,19H,6,11H2,1H3.
What are the key properties of (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate?
(4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate has a molecular weight of 295.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2541023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).