2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one

C25H21NO3 — CID 44562453

IUPAC2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccccc4)c3)cccc12
InChIInChI=1S/C25H21NO3/c27-23-17-24(26-12-14-28-15-13-26)29-25-21(10-5-11-22(23)25)20-9-4-8-19(16-20)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
InChIKeyBFFNYOMXUPGOIF-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.96
Rot. Bonds3

About 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one

2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one (PubChem CID 44562453) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one
PubChem CID44562453
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccccc4)c3)cccc12
InChIInChI=1S/C25H21NO3/c27-23-17-24(26-12-14-28-15-13-26)29-25-21(10-5-11-22(23)25)20-9-4-8-19(16-20)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
InChIKeyBFFNYOMXUPGOIF-UHFFFAOYSA-N
XLogP4.96
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one (CID 44562453) is 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccccc4)c3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one?
The InChIKey is BFFNYOMXUPGOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c27-23-17-24(26-12-14-28-15-13-26)29-25-21(10-5-11-22(23)25)20-9-4-8-19(16-20)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2.
What are the key properties of 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one?
2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one has a molecular weight of 383.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-(3-phenylphenyl)chromen-4-one is sourced from PubChem (CID 44562453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).