6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one

C17H15NO3 — CID 89035843

IUPAC6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one
SMILESCNc1ccc(-c2cc(=O)oc3ccc(OC)cc23)cc1
InChIInChI=1S/C17H15NO3/c1-18-12-5-3-11(4-6-12)14-10-17(19)21-16-8-7-13(20-2)9-15(14)16/h3-10,18H,1-2H3
InChIKeyVAICARKLEHTWPI-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.51
Rot. Bonds3

About 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one

6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one (PubChem CID 89035843) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one
PubChem CID89035843
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one
SMILESCNc1ccc(-c2cc(=O)oc3ccc(OC)cc23)cc1
InChIInChI=1S/C17H15NO3/c1-18-12-5-3-11(4-6-12)14-10-17(19)21-16-8-7-13(20-2)9-15(14)16/h3-10,18H,1-2H3
InChIKeyVAICARKLEHTWPI-UHFFFAOYSA-N
XLogP3.51
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one?
The IUPAC name of 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one (CID 89035843) is 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one.
What is the SMILES notation for 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one?
The canonical SMILES for 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one is CNc1ccc(-c2cc(=O)oc3ccc(OC)cc23)cc1.
What is the InChIKey of 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one?
The InChIKey is VAICARKLEHTWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18-12-5-3-11(4-6-12)14-10-17(19)21-16-8-7-13(20-2)9-15(14)16/h3-10,18H,1-2H3.
What are the key properties of 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one?
6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-(methylamino)phenyl]chromen-2-one is sourced from PubChem (CID 89035843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).