2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid

C18H19NO3 — CID 39226434

IUPAC2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C18H19NO3/c20-18(21)17-7-2-1-6-16(17)15-5-3-4-14(12-15)13-19-8-10-22-11-9-19/h1-7,12H,8-11,13H2,(H,20,21)
InChIKeyCKNIATFHJZBECW-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.88
Rot. Bonds4

About 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid

2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid (PubChem CID 39226434) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
PubChem CID39226434
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C18H19NO3/c20-18(21)17-7-2-1-6-16(17)15-5-3-4-14(12-15)13-19-8-10-22-11-9-19/h1-7,12H,8-11,13H2,(H,20,21)
InChIKeyCKNIATFHJZBECW-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
CID 144848835
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
CID 131887032
CID 131887032
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839

Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid?
The IUPAC name of 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid (CID 39226434) is 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid?
The canonical SMILES for 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid?
The InChIKey is CKNIATFHJZBECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(21)17-7-2-1-6-16(17)15-5-3-4-14(12-15)13-19-8-10-22-11-9-19/h1-7,12H,8-11,13H2,(H,20,21).
What are the key properties of 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid?
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid is sourced from PubChem (CID 39226434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).