1-chloro-4-(2,5-dimethylphenoxy)phthalazine

C16H13ClN2O — CID 62140788

IUPAC1-chloro-4-(2,5-dimethylphenoxy)phthalazine
SMILESCc1ccc(C)c(Oc2nnc(Cl)c3ccccc23)c1
InChIInChI=1S/C16H13ClN2O/c1-10-7-8-11(2)14(9-10)20-16-13-6-4-3-5-12(13)15(17)18-19-16/h3-9H,1-2H3
InChIKeyMGBXFKYHRQDLOX-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.69
Rot. Bonds2

About 1-chloro-4-(2,5-dimethylphenoxy)phthalazine

1-chloro-4-(2,5-dimethylphenoxy)phthalazine (PubChem CID 62140788) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-chloro-4-(2,5-dimethylphenoxy)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(2,5-dimethylphenoxy)phthalazine
PubChem CID62140788
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-chloro-4-(2,5-dimethylphenoxy)phthalazine
SMILESCc1ccc(C)c(Oc2nnc(Cl)c3ccccc23)c1
InChIInChI=1S/C16H13ClN2O/c1-10-7-8-11(2)14(9-10)20-16-13-6-4-3-5-12(13)15(17)18-19-16/h3-9H,1-2H3
InChIKeyMGBXFKYHRQDLOX-UHFFFAOYSA-N
XLogP4.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
1-(2,5-dimethylphenoxy)-4-phenylphthalazine
CID 12797806
1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine
CID 62141168
1-chloro-4-(2,5-dichlorophenoxy)phthalazine
CID 62140044
8-chloro-4-(2,5-dimethylphenoxy)quinoline
CID 19879064
1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine
CID 62140419
3-chloro-6-(2,5-dimethylphenoxy)pyridazine
CID 60675027
1-chloro-4-(3-propan-2-ylphenoxy)phthalazine
CID 62140230
1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6407636
1-chloro-4-(3-iodophenoxy)phthalazine
CID 62140607
1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
CID 63880024
1-chloro-4-(2,5-dimethyl-1H-indol-3-yl)phthalazine
CID 87287590

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,5-dimethylphenoxy)phthalazine?
The IUPAC name of 1-chloro-4-(2,5-dimethylphenoxy)phthalazine (CID 62140788) is 1-chloro-4-(2,5-dimethylphenoxy)phthalazine.
What is the SMILES notation for 1-chloro-4-(2,5-dimethylphenoxy)phthalazine?
The canonical SMILES for 1-chloro-4-(2,5-dimethylphenoxy)phthalazine is Cc1ccc(C)c(Oc2nnc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-chloro-4-(2,5-dimethylphenoxy)phthalazine?
The InChIKey is MGBXFKYHRQDLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-7-8-11(2)14(9-10)20-16-13-6-4-3-5-12(13)15(17)18-19-16/h3-9H,1-2H3.
What are the key properties of 1-chloro-4-(2,5-dimethylphenoxy)phthalazine?
1-chloro-4-(2,5-dimethylphenoxy)phthalazine has a molecular weight of 284.75 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,5-dimethylphenoxy)phthalazine is sourced from PubChem (CID 62140788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).