8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one

C20H19NO3 — CID 23586698

IUPAC8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
SMILESCc1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H19NO3/c1-14-5-2-3-6-15(14)16-7-4-8-17-18(22)13-19(24-20(16)17)21-9-11-23-12-10-21/h2-8,13H,9-12H2,1H3
InChIKeyWPLFMOBVUSRLLS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.61
Rot. Bonds2

About 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one

8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one (PubChem CID 23586698) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
PubChem CID23586698
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
SMILESCc1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C20H19NO3/c1-14-5-2-3-6-15(14)16-7-4-8-17-18(22)13-19(24-20(16)17)21-9-11-23-12-10-21/h2-8,13H,9-12H2,1H3
InChIKeyWPLFMOBVUSRLLS-UHFFFAOYSA-N
XLogP3.61
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one (CID 23586698) is 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one is Cc1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is WPLFMOBVUSRLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-5-2-3-6-15(14)16-7-4-8-17-18(22)13-19(24-20(16)17)21-9-11-23-12-10-21/h2-8,13H,9-12H2,1H3.
What are the key properties of 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one?
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 321.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 23586698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).