6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine

C24H19FO2 — CID 57222149

IUPAC6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine
SMILESFc1ccccc1C1(c2ccc3c(c2)OCCO3)C=Cc2ccccc2C1
InChIInChI=1S/C24H19FO2/c25-21-8-4-3-7-20(21)24(12-11-17-5-1-2-6-18(17)16-24)19-9-10-22-23(15-19)27-14-13-26-22/h1-12,15H,13-14,16H2
InChIKeyZDYYGZYGSXIPJC-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.15
Rot. Bonds2

About 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine

6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 57222149) has the molecular formula C24H19FO2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine
PubChem CID57222149
Molecular FormulaC24H19FO2
Molecular Weight358.41 g/mol
Exact Mass358.14
IUPAC Name6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine
SMILESFc1ccccc1C1(c2ccc3c(c2)OCCO3)C=Cc2ccccc2C1
InChIInChI=1S/C24H19FO2/c25-21-8-4-3-7-20(21)24(12-11-17-5-1-2-6-18(17)16-24)19-9-10-22-23(15-19)27-14-13-26-22/h1-12,15H,13-14,16H2
InChIKeyZDYYGZYGSXIPJC-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine 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 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine (CID 57222149) is 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine is Fc1ccccc1C1(c2ccc3c(c2)OCCO3)C=Cc2ccccc2C1.
What is the InChIKey of 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is ZDYYGZYGSXIPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FO2/c25-21-8-4-3-7-20(21)24(12-11-17-5-1-2-6-18(17)16-24)19-9-10-22-23(15-19)27-14-13-26-22/h1-12,15H,13-14,16H2.
What are the key properties of 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine?
6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 358.41 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)-1H-naphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 57222149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).