1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine

C20H11Cl2FN2O — CID 2132648

IUPAC1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine
SMILESFc1ccc(-c2nnc(Oc3ccc(Cl)cc3Cl)c3ccccc23)cc1
InChIInChI=1S/C20H11Cl2FN2O/c21-13-7-10-18(17(22)11-13)26-20-16-4-2-1-3-15(16)19(24-25-20)12-5-8-14(23)9-6-12/h1-11H
InChIKeyPDNGNCITRWZOOR-UHFFFAOYSA-N
MW385.23 g/mol
LogP6.53
Rot. Bonds3

About 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine

1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine (PubChem CID 2132648) has the molecular formula C20H11Cl2FN2O and a molecular weight of 385.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine
PubChem CID2132648
Molecular FormulaC20H11Cl2FN2O
Molecular Weight385.23 g/mol
Exact Mass384.02
IUPAC Name1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine
SMILESFc1ccc(-c2nnc(Oc3ccc(Cl)cc3Cl)c3ccccc23)cc1
InChIInChI=1S/C20H11Cl2FN2O/c21-13-7-10-18(17(22)11-13)26-20-16-4-2-1-3-15(16)19(24-25-20)12-5-8-14(23)9-6-12/h1-11H
InChIKeyPDNGNCITRWZOOR-UHFFFAOYSA-N
XLogP6.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.23
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-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine?
The IUPAC name of 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine (CID 2132648) is 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine is Fc1ccc(-c2nnc(Oc3ccc(Cl)cc3Cl)c3ccccc23)cc1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine?
The InChIKey is PDNGNCITRWZOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN2O/c21-13-7-10-18(17(22)11-13)26-20-16-4-2-1-3-15(16)19(24-25-20)12-5-8-14(23)9-6-12/h1-11H.
What are the key properties of 1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine?
1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine has a molecular weight of 385.23 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-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine is sourced from PubChem (CID 2132648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).