1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine

C16H12ClFN2O — CID 166151385

IUPAC1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine
SMILESCOc1cc(C)ccc1-c1nnc(Cl)c2cccc(F)c12
InChIInChI=1S/C16H12ClFN2O/c1-9-6-7-10(13(8-9)21-2)15-14-11(16(17)20-19-15)4-3-5-12(14)18/h3-8H,1-2H3
InChIKeyDZNOFYJGKSGHRO-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.41
Rot. Bonds2

About 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine

1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine (PubChem CID 166151385) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine
PubChem CID166151385
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine
SMILESCOc1cc(C)ccc1-c1nnc(Cl)c2cccc(F)c12
InChIInChI=1S/C16H12ClFN2O/c1-9-6-7-10(13(8-9)21-2)15-14-11(16(17)20-19-15)4-3-5-12(14)18/h3-8H,1-2H3
InChIKeyDZNOFYJGKSGHRO-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine?
The IUPAC name of 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine (CID 166151385) is 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine.
What is the SMILES notation for 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine?
The canonical SMILES for 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine is COc1cc(C)ccc1-c1nnc(Cl)c2cccc(F)c12.
What is the InChIKey of 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine?
The InChIKey is DZNOFYJGKSGHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-6-7-10(13(8-9)21-2)15-14-11(16(17)20-19-15)4-3-5-12(14)18/h3-8H,1-2H3.
What are the key properties of 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine?
1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine has a molecular weight of 302.74 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-4-(2-methoxy-4-methylphenyl)phthalazine is sourced from PubChem (CID 166151385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).