3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid

C19H19F2NO4 — CID 122029359

IUPAC3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(CN2CCOC(c3cccc(OC(F)F)c3)C2)c1
InChIInChI=1S/C19H19F2NO4/c20-19(21)26-16-6-2-4-14(10-16)17-12-22(7-8-25-17)11-13-3-1-5-15(9-13)18(23)24/h1-6,9-10,17,19H,7-8,11-12H2,(H,23,24)
InChIKeyCVMJMUGLWDJWRT-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.56
Rot. Bonds6

About 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid

3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid (PubChem CID 122029359) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
PubChem CID122029359
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(CN2CCOC(c3cccc(OC(F)F)c3)C2)c1
InChIInChI=1S/C19H19F2NO4/c20-19(21)26-16-6-2-4-14(10-16)17-12-22(7-8-25-17)11-13-3-1-5-15(9-13)18(23)24/h1-6,9-10,17,19H,7-8,11-12H2,(H,23,24)
InChIKeyCVMJMUGLWDJWRT-UHFFFAOYSA-N
XLogP3.56
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
CID 162633867
3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 124969004
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
3-[[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99944117
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid (CID 122029359) is 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid is O=C(O)c1cccc(CN2CCOC(c3cccc(OC(F)F)c3)C2)c1.
What is the InChIKey of 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid?
The InChIKey is CVMJMUGLWDJWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c20-19(21)26-16-6-2-4-14(10-16)17-12-22(7-8-25-17)11-13-3-1-5-15(9-13)18(23)24/h1-6,9-10,17,19H,7-8,11-12H2,(H,23,24).
What are the key properties of 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid?
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid has a molecular weight of 363.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 122029359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).