1-chloro-4-(4-methylphenyl)phthalazine

C15H11ClN2 — CID 6408759

IUPAC1-chloro-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C15H11ClN2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3
InChIKeySBSCJEDEQMLKJY-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.26
Rot. Bonds1

About 1-chloro-4-(4-methylphenyl)phthalazine

1-chloro-4-(4-methylphenyl)phthalazine (PubChem CID 6408759) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-chloro-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(4-methylphenyl)phthalazine
PubChem CID6408759
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name1-chloro-4-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C15H11ClN2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3
InChIKeySBSCJEDEQMLKJY-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methylphenyl)phthalazine?
The IUPAC name of 1-chloro-4-(4-methylphenyl)phthalazine (CID 6408759) is 1-chloro-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-chloro-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-chloro-4-(4-methylphenyl)phthalazine is Cc1ccc(-c2nnc(Cl)c3ccccc23)cc1.
What is the InChIKey of 1-chloro-4-(4-methylphenyl)phthalazine?
The InChIKey is SBSCJEDEQMLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3.
What are the key properties of 1-chloro-4-(4-methylphenyl)phthalazine?
1-chloro-4-(4-methylphenyl)phthalazine has a molecular weight of 254.72 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-methylphenyl)phthalazine is sourced from PubChem (CID 6408759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).