3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid

C20H21F2NO4 — CID 23136500

IUPAC3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2ccccc2N2CCOCC2)c(F)c1
InChIInChI=1S/C20H21F2NO4/c21-16-11-14(5-6-19(24)25)12-17(22)20(16)27-13-15-3-1-2-4-18(15)23-7-9-26-10-8-23/h1-4,11-12H,5-10,13H2,(H,24,25)
InChIKeyMJQKISMVUPFHTL-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.40
Rot. Bonds7

About 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid

3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid (PubChem CID 23136500) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid
PubChem CID23136500
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC Name3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2ccccc2N2CCOCC2)c(F)c1
InChIInChI=1S/C20H21F2NO4/c21-16-11-14(5-6-19(24)25)12-17(22)20(16)27-13-15-3-1-2-4-18(15)23-7-9-26-10-8-23/h1-4,11-12H,5-10,13H2,(H,24,25)
InChIKeyMJQKISMVUPFHTL-UHFFFAOYSA-N
XLogP3.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid (CID 23136500) is 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1cc(F)c(OCc2ccccc2N2CCOCC2)c(F)c1.
What is the InChIKey of 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is MJQKISMVUPFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c21-16-11-14(5-6-19(24)25)12-17(22)20(16)27-13-15-3-1-2-4-18(15)23-7-9-26-10-8-23/h1-4,11-12H,5-10,13H2,(H,24,25).
What are the key properties of 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid?
3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 377.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23136500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).