methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate

C20H20FNO3 — CID 175443779

IUPACmethyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cccc(N2CCOCC2)c1C=Cc1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-24-20(23)18-3-2-4-19(22-11-13-25-14-12-22)17(18)10-7-15-5-8-16(21)9-6-15/h2-10H,11-14H2,1H3
InChIKeyDXEFUIIHRUKJMA-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate

methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate (PubChem CID 175443779) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate
PubChem CID175443779
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Namemethyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cccc(N2CCOCC2)c1C=Cc1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-24-20(23)18-3-2-4-19(22-11-13-25-14-12-22)17(18)10-7-15-5-8-16(21)9-6-15/h2-10H,11-14H2,1H3
InChIKeyDXEFUIIHRUKJMA-UHFFFAOYSA-N
XLogP3.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
methyl 5-[(4-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2997066
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
methyl 2-morpholin-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate
CID 6198714
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
methyl 5-isocyano-2-morpholin-4-ylbenzoate
CID 140820727
methyl 2-morpholin-4-yl-5-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 7329194
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate (CID 175443779) is methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate is COC(=O)c1cccc(N2CCOCC2)c1C=Cc1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate?
The InChIKey is DXEFUIIHRUKJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-24-20(23)18-3-2-4-19(22-11-13-25-14-12-22)17(18)10-7-15-5-8-16(21)9-6-15/h2-10H,11-14H2,1H3.
What are the key properties of methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate?
methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate has a molecular weight of 341.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate is sourced from PubChem (CID 175443779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).