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

C20H19NO3 — CID 66854349

IUPACethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C20H19NO3/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/h3-13,21H,2,14H2,1H3
InChIKeyALUVUEXKWGDOMB-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.32
Rot. Bonds6

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

ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate (PubChem CID 66854349) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
PubChem CID66854349
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C20H19NO3/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/h3-13,21H,2,14H2,1H3
InChIKeyALUVUEXKWGDOMB-UHFFFAOYSA-N
XLogP4.32
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(5-methoxy-1H-indol-2-yl)prop-2-enoate
CID 24741227
ethane;ethyl (E)-3-(1H-indol-2-yl)prop-2-enoate
CID 145445804
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
ethyl (E)-3-(2,6-dimethyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 58754048
ethyl (E)-3-[2-[(dimethylamino)methyl]-4-phenylmethoxyphenyl]prop-2-enoate
CID 58566589
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate
CID 66853707
ethyl (E)-4-(5-phenylmethoxy-1H-indol-3-yl)but-2-enoate
CID 19372353
ethyl (E)-3-[5-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
CID 58248147
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate (CID 66854349) is ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate is CCOC(=O)C=Cc1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate?
The InChIKey is ALUVUEXKWGDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/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/h3-13,21H,2,14H2,1H3.
What are the key properties of ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate?
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate has a molecular weight of 321.38 g/mol, XLogP of 4.32, 6 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)prop-2-enoate is sourced from PubChem (CID 66854349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).