1-ethoxy-4-(4-ethoxyphenyl)phthalazine

C18H18N2O2 — CID 2940201

IUPAC1-ethoxy-4-(4-ethoxyphenyl)phthalazine
SMILESCCOc1ccc(-c2nnc(OCC)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-3-21-14-11-9-13(10-12-14)17-15-7-5-6-8-16(15)18(20-19-17)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyIFEYWAHXKNCICO-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.09
Rot. Bonds5

About 1-ethoxy-4-(4-ethoxyphenyl)phthalazine

1-ethoxy-4-(4-ethoxyphenyl)phthalazine (PubChem CID 2940201) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-ethoxy-4-(4-ethoxyphenyl)phthalazine.

Molecular Properties

Compound Name1-ethoxy-4-(4-ethoxyphenyl)phthalazine
PubChem CID2940201
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-ethoxy-4-(4-ethoxyphenyl)phthalazine
SMILESCCOc1ccc(-c2nnc(OCC)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-3-21-14-11-9-13(10-12-14)17-15-7-5-6-8-16(15)18(20-19-17)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyIFEYWAHXKNCICO-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-ethoxy-4-(4-ethoxyphenyl)phthalazine?
The IUPAC name of 1-ethoxy-4-(4-ethoxyphenyl)phthalazine (CID 2940201) is 1-ethoxy-4-(4-ethoxyphenyl)phthalazine.
What is the SMILES notation for 1-ethoxy-4-(4-ethoxyphenyl)phthalazine?
The canonical SMILES for 1-ethoxy-4-(4-ethoxyphenyl)phthalazine is CCOc1ccc(-c2nnc(OCC)c3ccccc23)cc1.
What is the InChIKey of 1-ethoxy-4-(4-ethoxyphenyl)phthalazine?
The InChIKey is IFEYWAHXKNCICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-21-14-11-9-13(10-12-14)17-15-7-5-6-8-16(15)18(20-19-17)22-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-ethoxyphenyl)phthalazine?
1-ethoxy-4-(4-ethoxyphenyl)phthalazine 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-ethoxy-4-(4-ethoxyphenyl)phthalazine is sourced from PubChem (CID 2940201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).