1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine

C24H21FN2O — CID 6405309

IUPAC1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine
SMILESCC(C)(C)c1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H21FN2O/c1-24(2,3)17-10-14-19(15-11-17)28-23-21-7-5-4-6-20(21)22(26-27-23)16-8-12-18(25)13-9-16/h4-15H,1-3H3
InChIKeyIHPAMOMGPYWVHP-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.53
Rot. Bonds3

About 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine

1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine (PubChem CID 6405309) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine
PubChem CID6405309
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine
SMILESCC(C)(C)c1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H21FN2O/c1-24(2,3)17-10-14-19(15-11-17)28-23-21-7-5-4-6-20(21)22(26-27-23)16-8-12-18(25)13-9-16/h4-15H,1-3H3
InChIKeyIHPAMOMGPYWVHP-UHFFFAOYSA-N
XLogP6.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine?
The IUPAC name of 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine (CID 6405309) is 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine?
The canonical SMILES for 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine is CC(C)(C)c1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine?
The InChIKey is IHPAMOMGPYWVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-24(2,3)17-10-14-19(15-11-17)28-23-21-7-5-4-6-20(21)22(26-27-23)16-8-12-18(25)13-9-16/h4-15H,1-3H3.
What are the key properties of 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine?
1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine has a molecular weight of 372.44 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-4-(4-fluorophenyl)phthalazine is sourced from PubChem (CID 6405309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).