1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine

C15H10Cl2N2O — CID 62141168

IUPAC1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine
SMILESCc1cc(Oc2nnc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O/c1-9-8-10(6-7-13(9)16)20-15-12-5-3-2-4-11(12)14(17)18-19-15/h2-8H,1H3
InChIKeyKXZGQDZOEGXJHO-UHFFFAOYSA-N
MW305.16 g/mol
LogP5.04
Rot. Bonds2

About 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine

1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine (PubChem CID 62141168) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine
PubChem CID62141168
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine
SMILESCc1cc(Oc2nnc(Cl)c3ccccc23)ccc1Cl
InChIInChI=1S/C15H10Cl2N2O/c1-9-8-10(6-7-13(9)16)20-15-12-5-3-2-4-11(12)14(17)18-19-15/h2-8H,1H3
InChIKeyKXZGQDZOEGXJHO-UHFFFAOYSA-N
XLogP5.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.16
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
CID 63880024
1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine
CID 62140419
1-chloro-4-(2,5-dimethylphenoxy)phthalazine
CID 62140788
1-chloro-4-(3-iodophenoxy)phthalazine
CID 62140607
1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
1-chloro-4-(3-propan-2-ylphenoxy)phthalazine
CID 62140230
1-chloro-4-(2,5-dichlorophenoxy)phthalazine
CID 62140044
4-(4-chloro-3-methylphenoxy)quinazolin-2-amine
CID 80865775
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
1-(3-fluorophenoxy)-4-methylphthalazine
CID 20971235
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164
2-(4-chloro-3-methylphenoxy)quinolin-1-ium-4-carbonitrile
CID 4129139

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine?
The IUPAC name of 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine (CID 62141168) is 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine.
What is the SMILES notation for 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine?
The canonical SMILES for 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine is Cc1cc(Oc2nnc(Cl)c3ccccc23)ccc1Cl.
What is the InChIKey of 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine?
The InChIKey is KXZGQDZOEGXJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-9-8-10(6-7-13(9)16)20-15-12-5-3-2-4-11(12)14(17)18-19-15/h2-8H,1H3.
What are the key properties of 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine?
1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine has a molecular weight of 305.16 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine is sourced from PubChem (CID 62141168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).