2-morpholin-4-ylethyl 4-hydroxybenzoate

C13H17NO4 — CID 825035

IUPAC2-morpholin-4-ylethyl 4-hydroxybenzoate
SMILESO=C(OCCN1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H17NO4/c15-12-3-1-11(2-4-12)13(16)18-10-7-14-5-8-17-9-6-14/h1-4,15H,5-10H2
InChIKeyAJSLXVBGYKJOJG-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.88
Rot. Bonds4

About 2-morpholin-4-ylethyl 4-hydroxybenzoate

2-morpholin-4-ylethyl 4-hydroxybenzoate (PubChem CID 825035) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-hydroxybenzoate
PubChem CID825035
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-morpholin-4-ylethyl 4-hydroxybenzoate
SMILESO=C(OCCN1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C13H17NO4/c15-12-3-1-11(2-4-12)13(16)18-10-7-14-5-8-17-9-6-14/h1-4,15H,5-10H2
InChIKeyAJSLXVBGYKJOJG-UHFFFAOYSA-N
XLogP0.88
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-morpholin-4-ylethyl 4-hydroxybenzoate 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

Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Benzyl 4-Hydroxybenzoate
CID 7180
Heptyl p-hydroxybenzoate
CID 14138
Isopropylparaben
CID 20161
Octylparaben
CID 14642
Isobutylparaben
CID 20240
Pentyl 4-hydroxybenzoate
CID 23019
2-Ethylhexyl p-hydroxybenzoate
CID 107377
Parethoxycaine
CID 7183
Hexylparaben
CID 14127

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-hydroxybenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 4-hydroxybenzoate (CID 825035) is 2-morpholin-4-ylethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-hydroxybenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-hydroxybenzoate is O=C(OCCN1CCOCC1)c1ccc(O)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-hydroxybenzoate?
The InChIKey is AJSLXVBGYKJOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12-3-1-11(2-4-12)13(16)18-10-7-14-5-8-17-9-6-14/h1-4,15H,5-10H2.
What are the key properties of 2-morpholin-4-ylethyl 4-hydroxybenzoate?
2-morpholin-4-ylethyl 4-hydroxybenzoate has a molecular weight of 251.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-hydroxybenzoate is sourced from PubChem (CID 825035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).