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

C15H21NO4 — CID 64533273

IUPAC4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
SMILESCC(C)N1CCOC(COc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H21NO4/c1-11(2)16-7-8-19-14(9-16)10-20-13-5-3-12(4-6-13)15(17)18/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyVJXQWBUHXPKKGC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds5

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

4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid (PubChem CID 64533273) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
PubChem CID64533273
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
SMILESCC(C)N1CCOC(COc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H21NO4/c1-11(2)16-7-8-19-14(9-16)10-20-13-5-3-12(4-6-13)15(17)18/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyVJXQWBUHXPKKGC-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 64532520
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
CID 107396660
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 116794099
1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716334

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid (CID 64533273) is 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid is CC(C)N1CCOC(COc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
The InChIKey is VJXQWBUHXPKKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)16-7-8-19-14(9-16)10-20-13-5-3-12(4-6-13)15(17)18/h3-6,11,14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid?
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 64533273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).