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

C15H11ClN2 — CID 134857135

IUPAC6-chloro-1-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nncc3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H11ClN2/c1-10-2-4-11(5-3-10)15-14-7-6-13(16)8-12(14)9-17-18-15/h2-9H,1H3
InChIKeyUDTLIQPKGYVRPW-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.26
Rot. Bonds1

About 6-chloro-1-(4-methylphenyl)phthalazine

6-chloro-1-(4-methylphenyl)phthalazine (PubChem CID 134857135) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-1-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name6-chloro-1-(4-methylphenyl)phthalazine
PubChem CID134857135
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name6-chloro-1-(4-methylphenyl)phthalazine
SMILESCc1ccc(-c2nncc3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H11ClN2/c1-10-2-4-11(5-3-10)15-14-7-6-13(16)8-12(14)9-17-18-15/h2-9H,1H3
InChIKeyUDTLIQPKGYVRPW-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 6-chloro-1-(4-methylphenyl)phthalazine?
The IUPAC name of 6-chloro-1-(4-methylphenyl)phthalazine (CID 134857135) is 6-chloro-1-(4-methylphenyl)phthalazine.
What is the SMILES notation for 6-chloro-1-(4-methylphenyl)phthalazine?
The canonical SMILES for 6-chloro-1-(4-methylphenyl)phthalazine is Cc1ccc(-c2nncc3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-1-(4-methylphenyl)phthalazine?
The InChIKey is UDTLIQPKGYVRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c1-10-2-4-11(5-3-10)15-14-7-6-13(16)8-12(14)9-17-18-15/h2-9H,1H3.
What are the key properties of 6-chloro-1-(4-methylphenyl)phthalazine?
6-chloro-1-(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 6-chloro-1-(4-methylphenyl)phthalazine is sourced from PubChem (CID 134857135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).