8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one

C19H16F3NO3 — CID 5438373

IUPAC8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12
InChIInChI=1S/C19H16F3NO3/c1-23(2)10-13-14(24)9-8-12-16(25)15(11-6-4-3-5-7-11)18(19(20,21)22)26-17(12)13/h3-9,24H,10H2,1-2H3
InChIKeyAZZYTSCNGDLZMW-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.25
Rot. Bonds3

About 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one

8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one (PubChem CID 5438373) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
PubChem CID5438373
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12
InChIInChI=1S/C19H16F3NO3/c1-23(2)10-13-14(24)9-8-12-16(25)15(11-6-4-3-5-7-11)18(19(20,21)22)26-17(12)13/h3-9,24H,10H2,1-2H3
InChIKeyAZZYTSCNGDLZMW-UHFFFAOYSA-N
XLogP4.25
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one (CID 5438373) is 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one is CN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12.
What is the InChIKey of 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The InChIKey is AZZYTSCNGDLZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-23(2)10-13-14(24)9-8-12-16(25)15(11-6-4-3-5-7-11)18(19(20,21)22)26-17(12)13/h3-9,24H,10H2,1-2H3.
What are the key properties of 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one?
8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one has a molecular weight of 363.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 5438373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).