(2-morpholin-4-ylphenyl) benzoate

C17H17NO3 — CID 2813067

IUPAC(2-morpholin-4-ylphenyl) benzoate
SMILESO=C(Oc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-17(14-6-2-1-3-7-14)21-16-9-5-4-8-15(16)18-10-12-20-13-11-18/h1-9H,10-13H2
InChIKeyQRZHKOYUQMNEFD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.74
Rot. Bonds3

About (2-morpholin-4-ylphenyl) benzoate

(2-morpholin-4-ylphenyl) benzoate (PubChem CID 2813067) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-morpholin-4-ylphenyl) benzoate.

Molecular Properties

Compound Name(2-morpholin-4-ylphenyl) benzoate
PubChem CID2813067
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-morpholin-4-ylphenyl) benzoate
SMILESO=C(Oc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-17(14-6-2-1-3-7-14)21-16-9-5-4-8-15(16)18-10-12-20-13-11-18/h1-9H,10-13H2
InChIKeyQRZHKOYUQMNEFD-UHFFFAOYSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(2-Benzamidophenyl) benzoate
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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylphenyl) benzoate?
The IUPAC name of (2-morpholin-4-ylphenyl) benzoate (CID 2813067) is (2-morpholin-4-ylphenyl) benzoate.
What is the SMILES notation for (2-morpholin-4-ylphenyl) benzoate?
The canonical SMILES for (2-morpholin-4-ylphenyl) benzoate is O=C(Oc1ccccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of (2-morpholin-4-ylphenyl) benzoate?
The InChIKey is QRZHKOYUQMNEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(14-6-2-1-3-7-14)21-16-9-5-4-8-15(16)18-10-12-20-13-11-18/h1-9H,10-13H2.
What are the key properties of (2-morpholin-4-ylphenyl) benzoate?
(2-morpholin-4-ylphenyl) benzoate has a molecular weight of 283.33 g/mol, XLogP of 2.74, 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) benzoate is sourced from PubChem (CID 2813067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).