4-morpholin-4-yl-2-phenylmethoxybenzoic acid

C18H19NO4 — CID 139820308

IUPAC4-morpholin-4-yl-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(N2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-18(21)16-7-6-15(19-8-10-22-11-9-19)12-17(16)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21)
InChIKeyGHGCAPHEDLCUKG-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.80
Rot. Bonds5

About 4-morpholin-4-yl-2-phenylmethoxybenzoic acid

4-morpholin-4-yl-2-phenylmethoxybenzoic acid (PubChem CID 139820308) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-2-phenylmethoxybenzoic acid
PubChem CID139820308
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4-morpholin-4-yl-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(N2CCOCC2)cc1OCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-18(21)16-7-6-15(19-8-10-22-11-9-19)12-17(16)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21)
InChIKeyGHGCAPHEDLCUKG-UHFFFAOYSA-N
XLogP2.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-morpholin-4-yl-2-phenylmethoxybenzoic 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-tert-butyl-2-[(5-morpholin-4-yl-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 66990471
4-bromo-5-(morpholin-4-ylmethyl)-2-phenylmethoxybenzoic acid
CID 66611351
2-butoxy-5-morpholin-4-ylbenzoic acid
CID 70668670
4-cyclopropyl-2-phenylmethoxybenzoic acid
CID 162369981
2-morpholin-4-yl-5-[(4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4727902
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
CID 157370853
benzyl N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)carbamate
CID 110400424
1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1270997
4-(4-benzylphenyl)morpholine
CID 11514364
benzyl (1R,8R)-5-morpholin-4-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-9-carboxylate
CID 122576796
5-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid
CID 2985527
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-phenylmethoxybenzoic acid?
The IUPAC name of 4-morpholin-4-yl-2-phenylmethoxybenzoic acid (CID 139820308) is 4-morpholin-4-yl-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-morpholin-4-yl-2-phenylmethoxybenzoic acid?
The canonical SMILES for 4-morpholin-4-yl-2-phenylmethoxybenzoic acid is O=C(O)c1ccc(N2CCOCC2)cc1OCc1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-2-phenylmethoxybenzoic acid?
The InChIKey is GHGCAPHEDLCUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-18(21)16-7-6-15(19-8-10-22-11-9-19)12-17(16)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21).
What are the key properties of 4-morpholin-4-yl-2-phenylmethoxybenzoic acid?
4-morpholin-4-yl-2-phenylmethoxybenzoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 139820308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).