8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one

C25H21NO4 — CID 44562454

IUPAC8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccc(O)cc4)c3)cccc12
InChIInChI=1S/C25H21NO4/c27-20-9-7-17(8-10-20)18-3-1-4-19(15-18)21-5-2-6-22-23(28)16-24(30-25(21)22)26-11-13-29-14-12-26/h1-10,15-16,27H,11-14H2
InChIKeyLFVJSQFZNFWOIW-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.67
Rot. Bonds3

About 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one

8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one (PubChem CID 44562454) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one
PubChem CID44562454
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccc(O)cc4)c3)cccc12
InChIInChI=1S/C25H21NO4/c27-20-9-7-17(8-10-20)18-3-1-4-19(15-18)21-5-2-6-22-23(28)16-24(30-25(21)22)26-11-13-29-14-12-26/h1-10,15-16,27H,11-14H2
InChIKeyLFVJSQFZNFWOIW-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

2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
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NU-7026
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2-(4-Morpholinyl)-4H-1-benzopyran-4-one
CID 131255
2-(2-Methylmorpholin-4-yl)benzo(h)chromen-4-one
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2-morpholino-4H-benzo[g]chromen-4-one
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8-Dibenzofuran-4-yl-2-morpholin-4-ylchromen-4-one
CID 11668417
8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
1-(2-Hydroxyphenyl)-3-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-2-propen-1-one
CID 6032438
8-Methyl-2-morpholin-4-yl-chromen-4-one
CID 10083230
2-morpholino-8-(2-phenylethynyl)-4H-chromen-4-one
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8-Phenyl-2-piperidin-1-yl-chromen-4-one
CID 11185819

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one (CID 44562454) is 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccc(O)cc4)c3)cccc12.
What is the InChIKey of 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one?
The InChIKey is LFVJSQFZNFWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c27-20-9-7-17(8-10-20)18-3-1-4-19(15-18)21-5-2-6-22-23(28)16-24(30-25(21)22)26-11-13-29-14-12-26/h1-10,15-16,27H,11-14H2.
What are the key properties of 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one?
8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-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 8-[3-(4-hydroxyphenyl)phenyl]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 44562454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).