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

C14H8ClIN2O — CID 62140607

IUPAC1-chloro-4-(3-iodophenoxy)phthalazine
SMILESClc1nnc(Oc2cccc(I)c2)c2ccccc12
InChIInChI=1S/C14H8ClIN2O/c15-13-11-6-1-2-7-12(11)14(18-17-13)19-10-5-3-4-9(16)8-10/h1-8H
InChIKeyHFYNKXXAPDXYSE-UHFFFAOYSA-N
MW382.59 g/mol
LogP4.68
Rot. Bonds2

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

1-chloro-4-(3-iodophenoxy)phthalazine (PubChem CID 62140607) has the molecular formula C14H8ClIN2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-chloro-4-(3-iodophenoxy)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(3-iodophenoxy)phthalazine
PubChem CID62140607
Molecular FormulaC14H8ClIN2O
Molecular Weight382.59 g/mol
Exact Mass381.94
IUPAC Name1-chloro-4-(3-iodophenoxy)phthalazine
SMILESClc1nnc(Oc2cccc(I)c2)c2ccccc12
InChIInChI=1S/C14H8ClIN2O/c15-13-11-6-1-2-7-12(11)14(18-17-13)19-10-5-3-4-9(16)8-10/h1-8H
InChIKeyHFYNKXXAPDXYSE-UHFFFAOYSA-N
XLogP4.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-iodophenoxy)phthalazine?
The IUPAC name of 1-chloro-4-(3-iodophenoxy)phthalazine (CID 62140607) is 1-chloro-4-(3-iodophenoxy)phthalazine.
What is the SMILES notation for 1-chloro-4-(3-iodophenoxy)phthalazine?
The canonical SMILES for 1-chloro-4-(3-iodophenoxy)phthalazine is Clc1nnc(Oc2cccc(I)c2)c2ccccc12.
What is the InChIKey of 1-chloro-4-(3-iodophenoxy)phthalazine?
The InChIKey is HFYNKXXAPDXYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN2O/c15-13-11-6-1-2-7-12(11)14(18-17-13)19-10-5-3-4-9(16)8-10/h1-8H.
What are the key properties of 1-chloro-4-(3-iodophenoxy)phthalazine?
1-chloro-4-(3-iodophenoxy)phthalazine has a molecular weight of 382.59 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-iodophenoxy)phthalazine is sourced from PubChem (CID 62140607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).