1-(4-chlorophenyl)-4-ethoxyphthalazine

C16H13ClN2O — CID 6401671

IUPAC1-(4-chlorophenyl)-4-ethoxyphthalazine
SMILESCCOc1nnc(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-2-20-16-14-6-4-3-5-13(14)15(18-19-16)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3
InChIKeyZUHYUFYYEASQDS-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.35
Rot. Bonds3

About 1-(4-chlorophenyl)-4-ethoxyphthalazine

1-(4-chlorophenyl)-4-ethoxyphthalazine (PubChem CID 6401671) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-ethoxyphthalazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-ethoxyphthalazine
PubChem CID6401671
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(4-chlorophenyl)-4-ethoxyphthalazine
SMILESCCOc1nnc(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-2-20-16-14-6-4-3-5-13(14)15(18-19-16)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3
InChIKeyZUHYUFYYEASQDS-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-ethoxyphthalazine?
The IUPAC name of 1-(4-chlorophenyl)-4-ethoxyphthalazine (CID 6401671) is 1-(4-chlorophenyl)-4-ethoxyphthalazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-ethoxyphthalazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-ethoxyphthalazine is CCOc1nnc(-c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-4-ethoxyphthalazine?
The InChIKey is ZUHYUFYYEASQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-2-20-16-14-6-4-3-5-13(14)15(18-19-16)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-ethoxyphthalazine?
1-(4-chlorophenyl)-4-ethoxyphthalazine has a molecular weight of 284.75 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-ethoxyphthalazine is sourced from PubChem (CID 6401671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).