4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid

C15H20FNO4 — CID 107014520

IUPAC4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
SMILESCC(C)N1CCOC(COc2cc(F)ccc2C(=O)O)C1
InChIInChI=1S/C15H20FNO4/c1-10(2)17-5-6-20-12(8-17)9-21-14-7-11(16)3-4-13(14)15(18)19/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeySONPHHZUNJPQOD-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.01
Rot. Bonds5

About 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid

4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid (PubChem CID 107014520) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
PubChem CID107014520
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
SMILESCC(C)N1CCOC(COc2cc(F)ccc2C(=O)O)C1
InChIInChI=1S/C15H20FNO4/c1-10(2)17-5-6-20-12(8-17)9-21-14-7-11(16)3-4-13(14)15(18)19/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeySONPHHZUNJPQOD-UHFFFAOYSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107700549
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
N-[1-[2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77043440
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid (CID 107014520) is 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid is CC(C)N1CCOC(COc2cc(F)ccc2C(=O)O)C1.
What is the InChIKey of 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
The InChIKey is SONPHHZUNJPQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-10(2)17-5-6-20-12(8-17)9-21-14-7-11(16)3-4-13(14)15(18)19/h3-4,7,10,12H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 107014520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).