3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one

C17H14FNO2 — CID 52937859

IUPAC3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one
SMILESCN(C)c1ccc(-c2cc3cc(F)ccc3oc2=O)cc1
InChIInChI=1S/C17H14FNO2/c1-19(2)14-6-3-11(4-7-14)15-10-12-9-13(18)5-8-16(12)21-17(15)20/h3-10H,1-2H3
InChIKeyLPNXIEQTSPVVOI-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.67
Rot. Bonds2

About 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one

3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one (PubChem CID 52937859) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one
PubChem CID52937859
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one
SMILESCN(C)c1ccc(-c2cc3cc(F)ccc3oc2=O)cc1
InChIInChI=1S/C17H14FNO2/c1-19(2)14-6-3-11(4-7-14)15-10-12-9-13(18)5-8-16(12)21-17(15)20/h3-10H,1-2H3
InChIKeyLPNXIEQTSPVVOI-UHFFFAOYSA-N
XLogP3.67
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one (CID 52937859) is 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one is CN(C)c1ccc(-c2cc3cc(F)ccc3oc2=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one?
The InChIKey is LPNXIEQTSPVVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-19(2)14-6-3-11(4-7-14)15-10-12-9-13(18)5-8-16(12)21-17(15)20/h3-10H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one?
3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one has a molecular weight of 283.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-6-fluorochromen-2-one is sourced from PubChem (CID 52937859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).