1-ethoxy-4-(4-methoxyphenyl)phthalazine

C17H16N2O2 — CID 3135534

IUPAC1-ethoxy-4-(4-methoxyphenyl)phthalazine
SMILESCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C17H16N2O2/c1-3-21-17-15-7-5-4-6-14(15)16(18-19-17)12-8-10-13(20-2)11-9-12/h4-11H,3H2,1-2H3
InChIKeyOMEBTMXCVSXICY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.70
Rot. Bonds4

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

1-ethoxy-4-(4-methoxyphenyl)phthalazine (PubChem CID 3135534) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-ethoxy-4-(4-methoxyphenyl)phthalazine.

Molecular Properties

Compound Name1-ethoxy-4-(4-methoxyphenyl)phthalazine
PubChem CID3135534
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-ethoxy-4-(4-methoxyphenyl)phthalazine
SMILESCCOc1nnc(-c2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C17H16N2O2/c1-3-21-17-15-7-5-4-6-14(15)16(18-19-17)12-8-10-13(20-2)11-9-12/h4-11H,3H2,1-2H3
InChIKeyOMEBTMXCVSXICY-UHFFFAOYSA-N
XLogP3.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.70
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-methoxyphenyl)phthalazine?
The IUPAC name of 1-ethoxy-4-(4-methoxyphenyl)phthalazine (CID 3135534) is 1-ethoxy-4-(4-methoxyphenyl)phthalazine.
What is the SMILES notation for 1-ethoxy-4-(4-methoxyphenyl)phthalazine?
The canonical SMILES for 1-ethoxy-4-(4-methoxyphenyl)phthalazine is CCOc1nnc(-c2ccc(OC)cc2)c2ccccc12.
What is the InChIKey of 1-ethoxy-4-(4-methoxyphenyl)phthalazine?
The InChIKey is OMEBTMXCVSXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-17-15-7-5-4-6-14(15)16(18-19-17)12-8-10-13(20-2)11-9-12/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-methoxyphenyl)phthalazine?
1-ethoxy-4-(4-methoxyphenyl)phthalazine has a molecular weight of 280.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-methoxyphenyl)phthalazine is sourced from PubChem (CID 3135534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).