1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine

C20H12BrFN2O — CID 6407637

IUPAC1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine
SMILESFc1cc(Br)ccc1Oc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H12BrFN2O/c21-14-10-11-18(17(22)12-14)25-20-16-9-5-4-8-15(16)19(23-24-20)13-6-2-1-3-7-13/h1-12H
InChIKeyBMZAMCQGXVPJEH-UHFFFAOYSA-N
MW395.23 g/mol
LogP5.99
Rot. Bonds3

About 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine

1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine (PubChem CID 6407637) has the molecular formula C20H12BrFN2O and a molecular weight of 395.23 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine
PubChem CID6407637
Molecular FormulaC20H12BrFN2O
Molecular Weight395.23 g/mol
Exact Mass394.01
IUPAC Name1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine
SMILESFc1cc(Br)ccc1Oc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H12BrFN2O/c21-14-10-11-18(17(22)12-14)25-20-16-9-5-4-8-15(16)19(23-24-20)13-6-2-1-3-7-13/h1-12H
InChIKeyBMZAMCQGXVPJEH-UHFFFAOYSA-N
XLogP5.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.23
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine?
The IUPAC name of 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine (CID 6407637) is 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine?
The canonical SMILES for 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine is Fc1cc(Br)ccc1Oc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine?
The InChIKey is BMZAMCQGXVPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrFN2O/c21-14-10-11-18(17(22)12-14)25-20-16-9-5-4-8-15(16)19(23-24-20)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine?
1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine has a molecular weight of 395.23 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenoxy)-4-phenylphthalazine is sourced from PubChem (CID 6407637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).