[3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate

C20H19NO5 — CID 155568569

IUPAC[3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate
SMILESO=C(/C=C/c1cccc(OC(=O)N2CCOCC2)c1)c1ccccc1O
InChIInChI=1S/C20H19NO5/c22-18-7-2-1-6-17(18)19(23)9-8-15-4-3-5-16(14-15)26-20(24)21-10-12-25-13-11-21/h1-9,14,22H,10-13H2/b9-8+
InChIKeyJQPNYNBANGCKPS-CMDGGOBGSA-N
MW353.37 g/mol
LogP3.12
Rot. Bonds4

About [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate

[3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate (PubChem CID 155568569) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate
PubChem CID155568569
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate
SMILESO=C(/C=C/c1cccc(OC(=O)N2CCOCC2)c1)c1ccccc1O
InChIInChI=1S/C20H19NO5/c22-18-7-2-1-6-17(18)19(23)9-8-15-4-3-5-16(14-15)26-20(24)21-10-12-25-13-11-21/h1-9,14,22H,10-13H2/b9-8+
InChIKeyJQPNYNBANGCKPS-CMDGGOBGSA-N
XLogP3.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Formyl-6-methoxyphenyl morpholine-4-carboxylate
CID 575110
8-(3-Hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11609490
8-(4-Hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11652716
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl morpholine-4-carboxylate
CID 2033707
8-(4-Hydroxymethylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11660078
6-(3-Hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11558836
6-(4-Hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11623973
2-Morpholin-4-yl-7-phenylchromen-4-one
CID 23586694
ethyl 6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 3239688
1-{2-[4-(Morpholin-4-yl)butoxy]phenyl}-3-phenylpropan-1-one
CID 44421062
8-(4''-hydroxybiphenyl-3-yl)-2-morpholino-4H-chromen-4-one
CID 44562454
(3E)-3-[[3-[2-(diethylamino)ethoxy]phenyl]methylidene]chromen-4-one
CID 145978908

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate?
The IUPAC name of [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate (CID 155568569) is [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate is O=C(/C=C/c1cccc(OC(=O)N2CCOCC2)c1)c1ccccc1O.
What is the InChIKey of [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate?
The InChIKey is JQPNYNBANGCKPS-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H19NO5/c22-18-7-2-1-6-17(18)19(23)9-8-15-4-3-5-16(14-15)26-20(24)21-10-12-25-13-11-21/h1-9,14,22H,10-13H2/b9-8+.
What are the key properties of [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate?
[3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 155568569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).