3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one

C14H17NO3 — CID 90998248

IUPAC3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCc1cc(C=CC(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H17NO3/c1-11-10-12(2-4-13(11)16)3-5-14(17)15-6-8-18-9-7-15/h2-5,10,16H,6-9H2,1H3
InChIKeyUNUIUBZPZLUGQA-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.57
Rot. Bonds2

About 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one

3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 90998248) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID90998248
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCc1cc(C=CC(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H17NO3/c1-11-10-12(2-4-13(11)16)3-5-14(17)15-6-8-18-9-7-15/h2-5,10,16H,6-9H2,1H3
InChIKeyUNUIUBZPZLUGQA-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
(2E,4E)-5-(1,3-benzodioxol-5-yl)-4-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 11956725
3-(5-methylthiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 76872983
(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 82153475
3-(3-methyl-4-morpholin-4-ylphenyl)prop-2-enoic acid
CID 76936167
(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 97433144
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682150
(E)-1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682151
(1S,2S,6S,7R)-4-[3-[(Z)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11898346

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 90998248) is 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one is Cc1cc(C=CC(=O)N2CCOCC2)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is UNUIUBZPZLUGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11-10-12(2-4-13(11)16)3-5-14(17)15-6-8-18-9-7-15/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one?
3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 247.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 90998248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).