1-(4-methylphenyl)-4-propoxyphthalazine

C18H18N2O — CID 2885396

IUPAC1-(4-methylphenyl)-4-propoxyphthalazine
SMILESCCCOc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-3-12-21-18-16-7-5-4-6-15(16)17(19-20-18)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeyBILQKUYOQJIINO-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-methylphenyl)-4-propoxyphthalazine

1-(4-methylphenyl)-4-propoxyphthalazine (PubChem CID 2885396) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-propoxyphthalazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-propoxyphthalazine
PubChem CID2885396
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(4-methylphenyl)-4-propoxyphthalazine
SMILESCCCOc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-3-12-21-18-16-7-5-4-6-15(16)17(19-20-18)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeyBILQKUYOQJIINO-UHFFFAOYSA-N
XLogP4.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-propoxyphthalazine?
The IUPAC name of 1-(4-methylphenyl)-4-propoxyphthalazine (CID 2885396) is 1-(4-methylphenyl)-4-propoxyphthalazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-propoxyphthalazine?
The canonical SMILES for 1-(4-methylphenyl)-4-propoxyphthalazine is CCCOc1nnc(-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 1-(4-methylphenyl)-4-propoxyphthalazine?
The InChIKey is BILQKUYOQJIINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-12-21-18-16-7-5-4-6-15(16)17(19-20-18)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-propoxyphthalazine?
1-(4-methylphenyl)-4-propoxyphthalazine has a molecular weight of 278.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-propoxyphthalazine is sourced from PubChem (CID 2885396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).