2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one

C19H18FNO3 — CID 44590880

IUPAC2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(OCCF)ccc3o2)cc1
InChIInChI=1S/C19H18FNO3/c1-21(2)14-5-3-13(4-6-14)19-12-17(22)16-11-15(23-10-9-20)7-8-18(16)24-19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyFHJZBBBRXRDKLA-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one

2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one (PubChem CID 44590880) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one
PubChem CID44590880
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(OCCF)ccc3o2)cc1
InChIInChI=1S/C19H18FNO3/c1-21(2)14-5-3-13(4-6-14)19-12-17(22)16-11-15(23-10-9-20)7-8-18(16)24-19/h3-8,11-12H,9-10H2,1-2H3
InChIKeyFHJZBBBRXRDKLA-UHFFFAOYSA-N
XLogP3.87
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one (CID 44590880) is 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one is CN(C)c1ccc(-c2cc(=O)c3cc(OCCF)ccc3o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one?
The InChIKey is FHJZBBBRXRDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-21(2)14-5-3-13(4-6-14)19-12-17(22)16-11-15(23-10-9-20)7-8-18(16)24-19/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one?
2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one has a molecular weight of 327.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-4-one is sourced from PubChem (CID 44590880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).