ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate

C20H21NO3 — CID 67870554

IUPACethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C20H21NO3/c1-2-23-20(22)11-8-17-12-16-13-18(9-10-19(16)21-17)24-14-15-6-4-3-5-7-15/h3-7,9-10,12-13,21H,2,8,11,14H2,1H3
InChIKeyPDTVJZHANXHSTH-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.24
Rot. Bonds7

About ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate

ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate (PubChem CID 67870554) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
PubChem CID67870554
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C20H21NO3/c1-2-23-20(22)11-8-17-12-16-13-18(9-10-19(16)21-17)24-14-15-6-4-3-5-7-15/h3-7,9-10,12-13,21H,2,8,11,14H2,1H3
InChIKeyPDTVJZHANXHSTH-UHFFFAOYSA-N
XLogP4.24
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(6-cyclopentyl-5-methyl-3-pyridinyl)methoxy]-1H-indol-2-yl]propanoic acid;ethyl 3-[5-[(6-cyclopentyl-5-methyl-3-pyridinyl)methoxy]-1H-indol-2-yl]propanoate
CID 163861153
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
ethyl 3-[5-[[4-(oxolan-3-yl)-3-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]propanoate
CID 146661135
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
4-(bromomethyl)-1-cyclopentyloxy-2-(trifluoromethyl)benzene;ethyl 3-[5-[[4-cyclopentyloxy-3-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]propanoate
CID 163650538
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate?
The IUPAC name of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate (CID 67870554) is ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate?
The canonical SMILES for ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate is CCOC(=O)CCc1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate?
The InChIKey is PDTVJZHANXHSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-23-20(22)11-8-17-12-16-13-18(9-10-19(16)21-17)24-14-15-6-4-3-5-7-15/h3-7,9-10,12-13,21H,2,8,11,14H2,1H3.
What are the key properties of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate?
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate has a molecular weight of 323.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate is sourced from PubChem (CID 67870554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).