1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate

C19H19NO3 — CID 78873695

IUPAC1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)OC(C)c3ccccc3)c2c1
InChIInChI=1S/C19H19NO3/c1-13(14-6-4-3-5-7-14)23-19(21)10-15-12-20-18-9-8-16(22-2)11-17(15)18/h3-9,11-13,20H,10H2,1-2H3
InChIKeyGOXBUKIWKPOKBR-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.02
Rot. Bonds5

About 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate

1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate (PubChem CID 78873695) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
PubChem CID78873695
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)OC(C)c3ccccc3)c2c1
InChIInChI=1S/C19H19NO3/c1-13(14-6-4-3-5-7-14)23-19(21)10-15-12-20-18-9-8-16(22-2)11-17(15)18/h3-9,11-13,20H,10H2,1-2H3
InChIKeyGOXBUKIWKPOKBR-UHFFFAOYSA-N
XLogP4.02
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7663759
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
N-ethyl-2-(5-methoxy-1H-indol-3-yl)-N-phenylacetamide
CID 86985638
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
(5-bromothiophen-3-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78876840

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The IUPAC name of 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate (CID 78873695) is 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The canonical SMILES for 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate is COc1ccc2[nH]cc(CC(=O)OC(C)c3ccccc3)c2c1.
What is the InChIKey of 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate?
The InChIKey is GOXBUKIWKPOKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(14-6-4-3-5-7-14)23-19(21)10-15-12-20-18-9-8-16(22-2)11-17(15)18/h3-9,11-13,20H,10H2,1-2H3.
What are the key properties of 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate?
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate has a molecular weight of 309.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 78873695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).