1-(4-methoxyphenyl)-4-propoxyphthalazine

C18H18N2O2 — CID 3135535

IUPAC1-(4-methoxyphenyl)-4-propoxyphthalazine
SMILESCCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-3-12-22-18-16-7-5-4-6-15(16)17(19-20-18)13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyYRBNVGCVRGTFNB-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-propoxyphthalazine

1-(4-methoxyphenyl)-4-propoxyphthalazine (PubChem CID 3135535) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-propoxyphthalazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-propoxyphthalazine
PubChem CID3135535
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(4-methoxyphenyl)-4-propoxyphthalazine
SMILESCCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-3-12-22-18-16-7-5-4-6-15(16)17(19-20-18)13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyYRBNVGCVRGTFNB-UHFFFAOYSA-N
XLogP4.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-propoxyphthalazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-propoxyphthalazine (CID 3135535) is 1-(4-methoxyphenyl)-4-propoxyphthalazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-propoxyphthalazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-propoxyphthalazine is CCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12.
What is the InChIKey of 1-(4-methoxyphenyl)-4-propoxyphthalazine?
The InChIKey is YRBNVGCVRGTFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-22-18-16-7-5-4-6-15(16)17(19-20-18)13-8-10-14(21-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-propoxyphthalazine?
1-(4-methoxyphenyl)-4-propoxyphthalazine has a molecular weight of 294.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-propoxyphthalazine is sourced from PubChem (CID 3135535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).