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

C14H7Cl3N2O — CID 62140044

IUPAC1-chloro-4-(2,5-dichlorophenoxy)phthalazine
SMILESClc1ccc(Cl)c(Oc2nnc(Cl)c3ccccc23)c1
InChIInChI=1S/C14H7Cl3N2O/c15-8-5-6-11(16)12(7-8)20-14-10-4-2-1-3-9(10)13(17)18-19-14/h1-7H
InChIKeyNOJNYXQZHFHHES-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.38
Rot. Bonds2

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

1-chloro-4-(2,5-dichlorophenoxy)phthalazine (PubChem CID 62140044) has the molecular formula C14H7Cl3N2O and a molecular weight of 325.58 g/mol. Its IUPAC name is 1-chloro-4-(2,5-dichlorophenoxy)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(2,5-dichlorophenoxy)phthalazine
PubChem CID62140044
Molecular FormulaC14H7Cl3N2O
Molecular Weight325.58 g/mol
Exact Mass323.96
IUPAC Name1-chloro-4-(2,5-dichlorophenoxy)phthalazine
SMILESClc1ccc(Cl)c(Oc2nnc(Cl)c3ccccc23)c1
InChIInChI=1S/C14H7Cl3N2O/c15-8-5-6-11(16)12(7-8)20-14-10-4-2-1-3-9(10)13(17)18-19-14/h1-7H
InChIKeyNOJNYXQZHFHHES-UHFFFAOYSA-N
XLogP5.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(2,5-dimethylphenoxy)phthalazine
CID 62140788
1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
CID 63880024
1-chloro-4-(4-chloro-3-methylphenoxy)phthalazine
CID 62141168
1-chloro-4-(2,4-dimethylphenoxy)phthalazine
CID 62140045
4-(chloromethyl)-1-(2,5-dichlorophenoxy)isoquinoline
CID 106769473
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221
1-chloro-4-(3-propan-2-ylphenoxy)phthalazine
CID 62140230
1-chloro-4-(3-iodophenoxy)phthalazine
CID 62140607
1-chloro-4-[(6-methyl-3-pyridinyl)oxy]phthalazine
CID 62140419
[2-(2,5-dichlorophenoxy)quinolin-3-yl]methanol
CID 28964083
4-(2,5-dichlorophenoxy)quinolin-3-amine
CID 103963597
1-(2,4-dichlorophenoxy)-4-(4-fluorophenyl)phthalazine
CID 2132648

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,5-dichlorophenoxy)phthalazine?
The IUPAC name of 1-chloro-4-(2,5-dichlorophenoxy)phthalazine (CID 62140044) is 1-chloro-4-(2,5-dichlorophenoxy)phthalazine.
What is the SMILES notation for 1-chloro-4-(2,5-dichlorophenoxy)phthalazine?
The canonical SMILES for 1-chloro-4-(2,5-dichlorophenoxy)phthalazine is Clc1ccc(Cl)c(Oc2nnc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-chloro-4-(2,5-dichlorophenoxy)phthalazine?
The InChIKey is NOJNYXQZHFHHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O/c15-8-5-6-11(16)12(7-8)20-14-10-4-2-1-3-9(10)13(17)18-19-14/h1-7H.
What are the key properties of 1-chloro-4-(2,5-dichlorophenoxy)phthalazine?
1-chloro-4-(2,5-dichlorophenoxy)phthalazine has a molecular weight of 325.58 g/mol, XLogP of 5.38, 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-dichlorophenoxy)phthalazine is sourced from PubChem (CID 62140044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).