6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one

C21H19NO4 — CID 11552020

IUPAC6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1ccccc1-c1ccc2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C21H19NO4/c1-14(23)16-4-2-3-5-17(16)15-6-7-20-18(12-15)19(24)13-21(26-20)22-8-10-25-11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeyIMYDVWVTZRVBCX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.50
Rot. Bonds3

About 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one

6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one (PubChem CID 11552020) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one
PubChem CID11552020
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1ccccc1-c1ccc2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C21H19NO4/c1-14(23)16-4-2-3-5-17(16)15-6-7-20-18(12-15)19(24)13-21(26-20)22-8-10-25-11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeyIMYDVWVTZRVBCX-UHFFFAOYSA-N
XLogP3.50
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one (CID 11552020) is 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one is CC(=O)c1ccccc1-c1ccc2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is IMYDVWVTZRVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-14(23)16-4-2-3-5-17(16)15-6-7-20-18(12-15)19(24)13-21(26-20)22-8-10-25-11-9-22/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one?
6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 349.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetylphenyl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11552020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).