4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid

C19H21NO4 — CID 67836991

IUPAC4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C19H21NO4/c21-19(22)16-6-8-17(9-7-16)24-14-18-13-20(10-11-23-18)12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,22)
InChIKeyFGDQFGCILMUVMO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds6

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

4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid (PubChem CID 67836991) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
PubChem CID67836991
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C19H21NO4/c21-19(22)16-6-8-17(9-7-16)24-14-18-13-20(10-11-23-18)12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,22)
InChIKeyFGDQFGCILMUVMO-UHFFFAOYSA-N
XLogP2.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 84602301
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
CID 24546062
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid (CID 67836991) is 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid is O=C(O)c1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid?
The InChIKey is FGDQFGCILMUVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-19(22)16-6-8-17(9-7-16)24-14-18-13-20(10-11-23-18)12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,22).
What are the key properties of 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid?
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 67836991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).