5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one

C25H21NO4 — CID 71457402

IUPAC5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(-c3ccccc3)c(N3CCOCC3)cc(O)c12
InChIInChI=1S/C25H21NO4/c27-20-15-19(26-11-13-29-14-12-26)23(18-9-5-2-6-10-18)25-24(20)21(28)16-22(30-25)17-7-3-1-4-8-17/h1-10,15-16,27H,11-14H2
InChIKeyCXILKGKCFULRQK-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.67
Rot. Bonds3

About 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one

5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one (PubChem CID 71457402) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one
PubChem CID71457402
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(-c3ccccc3)c(N3CCOCC3)cc(O)c12
InChIInChI=1S/C25H21NO4/c27-20-15-19(26-11-13-29-14-12-26)23(18-9-5-2-6-10-18)25-24(20)21(28)16-22(30-25)17-7-3-1-4-8-17/h1-10,15-16,27H,11-14H2
InChIKeyCXILKGKCFULRQK-UHFFFAOYSA-N
XLogP4.67
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-8-(3-morpholin-4-yl-3-oxo-1-phenylpropyl)-2-phenylchromen-4-one
CID 71827102
5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 54769632
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
CID 90643979
5,7-dihydroxy-8-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-2-phenylchromen-4-one
CID 97424683
3-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 71827278
2-morpholin-4-yl-6-phenylpyran-4-one
CID 10923175
5,7-dihydroxy-8-[(1R)-3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl]-2-phenylchromen-4-one
CID 97424403
(10R)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424900
(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424899
8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 163090228

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one?
The IUPAC name of 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one (CID 71457402) is 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one is O=c1cc(-c2ccccc2)oc2c(-c3ccccc3)c(N3CCOCC3)cc(O)c12.
What is the InChIKey of 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one?
The InChIKey is CXILKGKCFULRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c27-20-15-19(26-11-13-29-14-12-26)23(18-9-5-2-6-10-18)25-24(20)21(28)16-22(30-25)17-7-3-1-4-8-17/h1-10,15-16,27H,11-14H2.
What are the key properties of 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one?
5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one has a molecular weight of 399.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-morpholin-4-yl-2,8-diphenylchromen-4-one is sourced from PubChem (CID 71457402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).