2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one

C26H23NO4 — CID 11697295

IUPAC2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc(OCc4ccccc4)cc3)cccc12
InChIInChI=1S/C26H23NO4/c28-24-17-25(27-13-15-29-16-14-27)31-26-22(7-4-8-23(24)26)20-9-11-21(12-10-20)30-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2
InChIKeyJSPKILGCSQXPQO-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.88
Rot. Bonds5

About 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one

2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one (PubChem CID 11697295) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one
PubChem CID11697295
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc(OCc4ccccc4)cc3)cccc12
InChIInChI=1S/C26H23NO4/c28-24-17-25(27-13-15-29-16-14-27)31-26-22(7-4-8-23(24)26)20-9-11-21(12-10-20)30-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2
InChIKeyJSPKILGCSQXPQO-UHFFFAOYSA-N
XLogP4.88
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11652716
8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11609490
8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate
CID 58757664
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one
CID 166450920
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
CID 21460068
8-[3-(4-methylthiophen-3-yl)phenyl]-2-morpholin-4-ylchromen-4-one
CID 11956324
8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
2-morpholin-4-yl-8-(3-thiophen-2-ylphenyl)chromen-4-one
CID 25211673
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one (CID 11697295) is 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3ccc(OCc4ccccc4)cc3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one?
The InChIKey is JSPKILGCSQXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c28-24-17-25(27-13-15-29-16-14-27)31-26-22(7-4-8-23(24)26)20-9-11-21(12-10-20)30-18-19-5-2-1-3-6-19/h1-12,17H,13-16,18H2.
What are the key properties of 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one?
2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one has a molecular weight of 413.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one is sourced from PubChem (CID 11697295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).