2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid

C18H19NO3 — CID 144848835

IUPAC2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
SMILESO=C(O)c1cccc(-c2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C18H19NO3/c20-18(21)16-8-4-7-15(14-5-2-1-3-6-14)17(16)13-19-9-11-22-12-10-19/h1-8H,9-13H2,(H,20,21)
InChIKeyYZKBGAXPWTXUOR-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.88
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid

2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid (PubChem CID 144848835) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
PubChem CID144848835
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
SMILESO=C(O)c1cccc(-c2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C18H19NO3/c20-18(21)16-8-4-7-15(14-5-2-1-3-6-14)17(16)13-19-9-11-22-12-10-19/h1-8H,9-13H2,(H,20,21)
InChIKeyYZKBGAXPWTXUOR-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

2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
CID 131887032
CID 131887032
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride
CID 44783870
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
CID 126476287
2-(morpholin-4-ylmethyl)-1-benzothiophene-4-carboxylic acid
CID 117172959
3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
methyl 3-bromo-2-(morpholin-4-ylmethyl)benzoate
CID 172876070
3-phenylphthalic acid;dihydrobromide
CID 67683459
3-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophene-4-carboxylic acid
CID 117170749
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid (CID 144848835) is 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid is O=C(O)c1cccc(-c2ccccc2)c1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid?
The InChIKey is YZKBGAXPWTXUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(21)16-8-4-7-15(14-5-2-1-3-6-14)17(16)13-19-9-11-22-12-10-19/h1-8H,9-13H2,(H,20,21).
What are the key properties of 2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid?
2-(morpholin-4-ylmethyl)-3-phenylbenzoic 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-(morpholin-4-ylmethyl)-3-phenylbenzoic acid is sourced from PubChem (CID 144848835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).