(2-morpholin-4-ylphenyl) 4-methylbenzoate

C18H19NO3 — CID 2813068

IUPAC(2-morpholin-4-ylphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C18H19NO3/c1-14-6-8-15(9-7-14)18(20)22-17-5-3-2-4-16(17)19-10-12-21-13-11-19/h2-9H,10-13H2,1H3
InChIKeyLJJAMUUFBJSWAU-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.05
Rot. Bonds3

About (2-morpholin-4-ylphenyl) 4-methylbenzoate

(2-morpholin-4-ylphenyl) 4-methylbenzoate (PubChem CID 2813068) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2-morpholin-4-ylphenyl) 4-methylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-ylphenyl) 4-methylbenzoate
PubChem CID2813068
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2-morpholin-4-ylphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C18H19NO3/c1-14-6-8-15(9-7-14)18(20)22-17-5-3-2-4-16(17)19-10-12-21-13-11-19/h2-9H,10-13H2,1H3
InChIKeyLJJAMUUFBJSWAU-UHFFFAOYSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylphenyl) 4-methylbenzoate?
The IUPAC name of (2-morpholin-4-ylphenyl) 4-methylbenzoate (CID 2813068) is (2-morpholin-4-ylphenyl) 4-methylbenzoate.
What is the SMILES notation for (2-morpholin-4-ylphenyl) 4-methylbenzoate?
The canonical SMILES for (2-morpholin-4-ylphenyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of (2-morpholin-4-ylphenyl) 4-methylbenzoate?
The InChIKey is LJJAMUUFBJSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14-6-8-15(9-7-14)18(20)22-17-5-3-2-4-16(17)19-10-12-21-13-11-19/h2-9H,10-13H2,1H3.
What are the key properties of (2-morpholin-4-ylphenyl) 4-methylbenzoate?
(2-morpholin-4-ylphenyl) 4-methylbenzoate has a molecular weight of 297.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylphenyl) 4-methylbenzoate is sourced from PubChem (CID 2813068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).