2-[4-(dimethylamino)phenyl]chromen-4-one

C17H15NO2 — CID 1241435

IUPAC2-[4-(dimethylamino)phenyl]chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3
InChIKeyPCKPYMMHFFXBPF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.53
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]chromen-4-one

2-[4-(dimethylamino)phenyl]chromen-4-one (PubChem CID 1241435) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]chromen-4-one
PubChem CID1241435
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-[4-(dimethylamino)phenyl]chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3
InChIKeyPCKPYMMHFFXBPF-UHFFFAOYSA-N
XLogP3.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(dimethylamino)phenyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]chromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]chromen-4-one (CID 1241435) is 2-[4-(dimethylamino)phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]chromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]chromen-4-one is CN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]chromen-4-one?
The InChIKey is PCKPYMMHFFXBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-11H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]chromen-4-one?
2-[4-(dimethylamino)phenyl]chromen-4-one has a molecular weight of 265.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]chromen-4-one is sourced from PubChem (CID 1241435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).