phenyl 3-morpholin-4-ylpropanoate

C13H17NO3 — CID 12036172

IUPACphenyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)Oc1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(17-12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-5H,6-11H2
InChIKeyRSUBLYUPBMYOOC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.31
Rot. Bonds4

About phenyl 3-morpholin-4-ylpropanoate

phenyl 3-morpholin-4-ylpropanoate (PubChem CID 12036172) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is phenyl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namephenyl 3-morpholin-4-ylpropanoate
PubChem CID12036172
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namephenyl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)Oc1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(17-12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-5H,6-11H2
InChIKeyRSUBLYUPBMYOOC-UHFFFAOYSA-N
XLogP1.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.31
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

naphthalen-1-yl 3-morpholin-4-ylpropanoate
CID 68790783
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
3-MORPHOLIN-4-YL-N-PHENYL-PROPIONAMIDE HYDROCHLORIDE
CID 156595356
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
phenyl 3-[4-(oxan-4-yl)-5-oxotetrazol-1-yl]propanoate
CID 166373850
[(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
CID 6968253
diphenyl nonanedioate
CID 18428919
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148

Frequently Asked Questions

What is the IUPAC name of phenyl 3-morpholin-4-ylpropanoate?
The IUPAC name of phenyl 3-morpholin-4-ylpropanoate (CID 12036172) is phenyl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for phenyl 3-morpholin-4-ylpropanoate?
The canonical SMILES for phenyl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)Oc1ccccc1.
What is the InChIKey of phenyl 3-morpholin-4-ylpropanoate?
The InChIKey is RSUBLYUPBMYOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(17-12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-5H,6-11H2.
What are the key properties of phenyl 3-morpholin-4-ylpropanoate?
phenyl 3-morpholin-4-ylpropanoate has a molecular weight of 235.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 12036172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).