4-morpholin-4-yl-7-phenylchromen-2-one

C19H17NO3 — CID 46891260

IUPAC4-morpholin-4-yl-7-phenylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccc(-c3ccccc3)cc2o1
InChIInChI=1S/C19H17NO3/c21-19-13-17(20-8-10-22-11-9-20)16-7-6-15(12-18(16)23-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyYAKMRBCOYXEFOI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.30
Rot. Bonds2

About 4-morpholin-4-yl-7-phenylchromen-2-one

4-morpholin-4-yl-7-phenylchromen-2-one (PubChem CID 46891260) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-7-phenylchromen-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-7-phenylchromen-2-one
PubChem CID46891260
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-morpholin-4-yl-7-phenylchromen-2-one
SMILESO=c1cc(N2CCOCC2)c2ccc(-c3ccccc3)cc2o1
InChIInChI=1S/C19H17NO3/c21-19-13-17(20-8-10-22-11-9-20)16-7-6-15(12-18(16)23-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyYAKMRBCOYXEFOI-UHFFFAOYSA-N
XLogP3.30
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-7-phenylchromen-2-one?
The IUPAC name of 4-morpholin-4-yl-7-phenylchromen-2-one (CID 46891260) is 4-morpholin-4-yl-7-phenylchromen-2-one.
What is the SMILES notation for 4-morpholin-4-yl-7-phenylchromen-2-one?
The canonical SMILES for 4-morpholin-4-yl-7-phenylchromen-2-one is O=c1cc(N2CCOCC2)c2ccc(-c3ccccc3)cc2o1.
What is the InChIKey of 4-morpholin-4-yl-7-phenylchromen-2-one?
The InChIKey is YAKMRBCOYXEFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19-13-17(20-8-10-22-11-9-20)16-7-6-15(12-18(16)23-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2.
What are the key properties of 4-morpholin-4-yl-7-phenylchromen-2-one?
4-morpholin-4-yl-7-phenylchromen-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-7-phenylchromen-2-one is sourced from PubChem (CID 46891260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).