ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate

C22H23NO4 — CID 66853707

IUPACethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2cc(OCc3ccccc3)ccc2n1CCO
InChIInChI=1S/C22H23NO4/c1-2-26-22(25)11-8-19-14-18-15-20(9-10-21(18)23(19)12-13-24)27-16-17-6-4-3-5-7-17/h3-11,14-15,24H,2,12-13,16H2,1H3/b11-8+
InChIKeyUMEIQWJWOWMISH-DHZHZOJOSA-N
MW365.43 g/mol
LogP3.79
Rot. Bonds8

About ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate

ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate (PubChem CID 66853707) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate
PubChem CID66853707
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2cc(OCc3ccccc3)ccc2n1CCO
InChIInChI=1S/C22H23NO4/c1-2-26-22(25)11-8-19-14-18-15-20(9-10-21(18)23(19)12-13-24)27-16-17-6-4-3-5-7-17/h3-11,14-15,24H,2,12-13,16H2,1H3/b11-8+
InChIKeyUMEIQWJWOWMISH-DHZHZOJOSA-N
XLogP3.79
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
3-[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoic acid
CID 70032868
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
ethyl (E)-3-[1,3-dimethyl-5-(6-phenylmethoxyindol-1-yl)pyrazol-4-yl]prop-2-enoate
CID 66860637
ethyl (E)-3-(1-ethyl-3-phenylmethoxypyrazol-5-yl)prop-2-enoate
CID 86618830
ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
ethyl formate;2-methyl-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)indole
CID 143654083
ethyl (E)-3-[5-phenylmethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
CID 58248147
butyl (E)-3-(1-ethyl-5-phenylmethoxyindol-2-yl)pent-2-enoate
CID 143581896
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate (CID 66853707) is ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate is CCOC(=O)/C=C/c1cc2cc(OCc3ccccc3)ccc2n1CCO.
What is the InChIKey of ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate?
The InChIKey is UMEIQWJWOWMISH-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H23NO4/c1-2-26-22(25)11-8-19-14-18-15-20(9-10-21(18)23(19)12-13-24)27-16-17-6-4-3-5-7-17/h3-11,14-15,24H,2,12-13,16H2,1H3/b11-8+.
What are the key properties of ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate?
ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate has a molecular weight of 365.43 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate is sourced from PubChem (CID 66853707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).