7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one

C23H19NO3 — CID 164524586

IUPAC7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one
SMILESCN(C)c1ccc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C23H19NO3/c1-24(2)18-10-8-15(9-11-18)17-12-19(25)23-20(26)14-21(27-22(23)13-17)16-6-4-3-5-7-16/h3-14,25H,1-2H3
InChIKeyUYGZIOFKGWBQOL-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.90
Rot. Bonds3

About 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one

7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one (PubChem CID 164524586) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one
PubChem CID164524586
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one
SMILESCN(C)c1ccc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C23H19NO3/c1-24(2)18-10-8-15(9-11-18)17-12-19(25)23-20(26)14-21(27-22(23)13-17)16-6-4-3-5-7-16/h3-14,25H,1-2H3
InChIKeyUYGZIOFKGWBQOL-UHFFFAOYSA-N
XLogP4.90
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one (CID 164524586) is 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one is CN(C)c1ccc(-c2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one?
The InChIKey is UYGZIOFKGWBQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-24(2)18-10-8-15(9-11-18)17-12-19(25)23-20(26)14-21(27-22(23)13-17)16-6-4-3-5-7-16/h3-14,25H,1-2H3.
What are the key properties of 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one?
7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one has a molecular weight of 357.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 164524586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).