7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one

C19H16FNO2 — CID 53362497

IUPAC7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc(Oc4ccc(F)cc4)cc13)CCCC2
InChIInChI=1S/C19H16FNO2/c20-12-5-7-13(8-6-12)23-14-9-10-18-16(11-14)19(22)15-3-1-2-4-17(15)21-18/h5-11H,1-4H2,(H,21,22)
InChIKeyRREUSHOACGCOSP-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.34
Rot. Bonds2

About 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one

7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 53362497) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID53362497
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc(Oc4ccc(F)cc4)cc13)CCCC2
InChIInChI=1S/C19H16FNO2/c20-12-5-7-13(8-6-12)23-14-9-10-18-16(11-14)19(22)15-3-1-2-4-17(15)21-18/h5-11H,1-4H2,(H,21,22)
InChIKeyRREUSHOACGCOSP-UHFFFAOYSA-N
XLogP4.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 53362497) is 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3ccc(Oc4ccc(F)cc4)cc13)CCCC2.
What is the InChIKey of 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is RREUSHOACGCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-12-5-7-13(8-6-12)23-14-9-10-18-16(11-14)19(22)15-3-1-2-4-17(15)21-18/h5-11H,1-4H2,(H,21,22).
What are the key properties of 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one?
7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 309.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 53362497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).