1-(2-iodophenoxy)-4-methylphthalazine

C15H11IN2O — CID 60965908

IUPAC1-(2-iodophenoxy)-4-methylphthalazine
SMILESCc1nnc(Oc2ccccc2I)c2ccccc12
InChIInChI=1S/C15H11IN2O/c1-10-11-6-2-3-7-12(11)15(18-17-10)19-14-9-5-4-8-13(14)16/h2-9H,1H3
InChIKeyLEGVPZIHVRTEAG-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.34
Rot. Bonds2

About 1-(2-iodophenoxy)-4-methylphthalazine

1-(2-iodophenoxy)-4-methylphthalazine (PubChem CID 60965908) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 1-(2-iodophenoxy)-4-methylphthalazine.

Molecular Properties

Compound Name1-(2-iodophenoxy)-4-methylphthalazine
PubChem CID60965908
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name1-(2-iodophenoxy)-4-methylphthalazine
SMILESCc1nnc(Oc2ccccc2I)c2ccccc12
InChIInChI=1S/C15H11IN2O/c1-10-11-6-2-3-7-12(11)15(18-17-10)19-14-9-5-4-8-13(14)16/h2-9H,1H3
InChIKeyLEGVPZIHVRTEAG-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenoxy)-4-methylphthalazine
CID 20971235
1-(2-iodophenoxy)-5-methoxyisoquinoline
CID 106536969
3-iodo-2-(2-iodophenoxy)pyridine
CID 11475735
[3-fluoro-4-(4-methylphthalazin-1-yl)oxyphenyl]methanamine
CID 107667286
4-[4-(4-methylphthalazin-1-yl)oxyphenyl]benzonitrile
CID 24604702
2-(2-iodophenoxy)-4,6-dimethylpyrimidine
CID 61400111
3-bromo-2-(2-iodophenoxy)-4-methylpyridine
CID 106875361
3-(2-iodophenoxy)-5-methylpyridazine
CID 106549372
N-methyl-2-(4-methylphthalazin-1-yl)oxyethanamine
CID 62349176
3-(2-iodophenoxy)pyrazin-2-amine
CID 102988008
3-chloro-2-(2-iodophenoxy)aniline
CID 43479593
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenoxy)-4-methylphthalazine?
The IUPAC name of 1-(2-iodophenoxy)-4-methylphthalazine (CID 60965908) is 1-(2-iodophenoxy)-4-methylphthalazine.
What is the SMILES notation for 1-(2-iodophenoxy)-4-methylphthalazine?
The canonical SMILES for 1-(2-iodophenoxy)-4-methylphthalazine is Cc1nnc(Oc2ccccc2I)c2ccccc12.
What is the InChIKey of 1-(2-iodophenoxy)-4-methylphthalazine?
The InChIKey is LEGVPZIHVRTEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c1-10-11-6-2-3-7-12(11)15(18-17-10)19-14-9-5-4-8-13(14)16/h2-9H,1H3.
What are the key properties of 1-(2-iodophenoxy)-4-methylphthalazine?
1-(2-iodophenoxy)-4-methylphthalazine has a molecular weight of 362.17 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenoxy)-4-methylphthalazine is sourced from PubChem (CID 60965908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).