1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine

C23H20N2O — CID 154056698

IUPAC1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine
SMILESCc1cc(C)c(Oc2nnc(-c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C23H20N2O/c1-15-13-16(2)22(17(3)14-15)26-23-20-12-8-7-11-19(20)21(24-25-23)18-9-5-4-6-10-18/h4-14H,1-3H3
InChIKeyMXBPGYQJSPGSHX-UHFFFAOYSA-N
MW340.43 g/mol
LogP6.01
Rot. Bonds3

About 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine

1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine (PubChem CID 154056698) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine.

Molecular Properties

Compound Name1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine
PubChem CID154056698
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine
SMILESCc1cc(C)c(Oc2nnc(-c3ccccc3)c3ccccc23)c(C)c1
InChIInChI=1S/C23H20N2O/c1-15-13-16(2)22(17(3)14-15)26-23-20-12-8-7-11-19(20)21(24-25-23)18-9-5-4-6-10-18/h4-14H,1-3H3
InChIKeyMXBPGYQJSPGSHX-UHFFFAOYSA-N
XLogP6.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine?
The IUPAC name of 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine (CID 154056698) is 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine.
What is the SMILES notation for 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine?
The canonical SMILES for 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine is Cc1cc(C)c(Oc2nnc(-c3ccccc3)c3ccccc23)c(C)c1.
What is the InChIKey of 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine?
The InChIKey is MXBPGYQJSPGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-15-13-16(2)22(17(3)14-15)26-23-20-12-8-7-11-19(20)21(24-25-23)18-9-5-4-6-10-18/h4-14H,1-3H3.
What are the key properties of 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine?
1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine has a molecular weight of 340.43 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2,4,6-trimethylphenoxy)phthalazine is sourced from PubChem (CID 154056698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).