methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate

C21H23NO4 — CID 175359172

IUPACmethyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate
SMILESCOC(=O)c1cccc(N2CCOC(/C=C/c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C21H23NO4/c1-24-19-9-6-16(7-10-19)8-11-20-15-22(12-13-26-20)18-5-3-4-17(14-18)21(23)25-2/h3-11,14,20H,12-13,15H2,1-2H3/b11-8+
InChIKeySHEMQOPEXPMRMH-DHZHZOJOSA-N
MW353.42 g/mol
LogP3.40
Rot. Bonds5

About methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate

methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate (PubChem CID 175359172) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate
PubChem CID175359172
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate
SMILESCOC(=O)c1cccc(N2CCOC(/C=C/c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C21H23NO4/c1-24-19-9-6-16(7-10-19)8-11-20-15-22(12-13-26-20)18-5-3-4-17(14-18)21(23)25-2/h3-11,14,20H,12-13,15H2,1-2H3/b11-8+
InChIKeySHEMQOPEXPMRMH-DHZHZOJOSA-N
XLogP3.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate?
The IUPAC name of methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate (CID 175359172) is methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate.
What is the SMILES notation for methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate?
The canonical SMILES for methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate is COC(=O)c1cccc(N2CCOC(/C=C/c3ccc(OC)cc3)C2)c1.
What is the InChIKey of methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate?
The InChIKey is SHEMQOPEXPMRMH-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H23NO4/c1-24-19-9-6-16(7-10-19)8-11-20-15-22(12-13-26-20)18-5-3-4-17(14-18)21(23)25-2/h3-11,14,20H,12-13,15H2,1-2H3/b11-8+.
What are the key properties of methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate?
methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate has a molecular weight of 353.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]morpholin-4-yl]benzoate is sourced from PubChem (CID 175359172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).