1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one

C15H19NO3 — CID 166406225

IUPAC1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC(O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-15(18)16-8-9-19-11-13(16)10-14(17)12-6-4-3-5-7-12/h2-7,13-14,17H,1,8-11H2
InChIKeyMAWUWGVUTNAGJZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds4

About 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one

1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one (PubChem CID 166406225) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
PubChem CID166406225
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1CC(O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-15(18)16-8-9-19-11-13(16)10-14(17)12-6-4-3-5-7-12/h2-7,13-14,17H,1,8-11H2
InChIKeyMAWUWGVUTNAGJZ-UHFFFAOYSA-N
XLogP1.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one 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

1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499752
N-[(1-cyclopropylcyclopropyl)methyl]-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499793
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
(3R)-N-(4-cyclopentyloxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014789
[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-(2-methylpyrrolidin-2-yl)methanone;hydrochloride
CID 110012128
(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
CID 97061516
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
(2S)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]-2-phenylpropan-1-one
CID 122140829
(3S)-N-(4-acetamido-3-methoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97058385
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
N-(2-ethoxyphenyl)-2-(4-prop-2-enoylmorpholin-3-yl)acetamide
CID 172887206

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one (CID 166406225) is 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1CCOCC1CC(O)c1ccccc1.
What is the InChIKey of 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one?
The InChIKey is MAWUWGVUTNAGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-15(18)16-8-9-19-11-13(16)10-14(17)12-6-4-3-5-7-12/h2-7,13-14,17H,1,8-11H2.
What are the key properties of 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one?
1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one has a molecular weight of 261.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 166406225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).