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

C15H11BrN2O — CID 83141017

IUPAC1-(4-bromo-3-methylphenoxy)phthalazine
SMILESCc1cc(Oc2nncc3ccccc23)ccc1Br
InChIInChI=1S/C15H11BrN2O/c1-10-8-12(6-7-14(10)16)19-15-13-5-3-2-4-11(13)9-17-18-15/h2-9H,1H3
InChIKeyJYKMTTFMDUQWII-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.49
Rot. Bonds2

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

1-(4-bromo-3-methylphenoxy)phthalazine (PubChem CID 83141017) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenoxy)phthalazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenoxy)phthalazine
PubChem CID83141017
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name1-(4-bromo-3-methylphenoxy)phthalazine
SMILESCc1cc(Oc2nncc3ccccc23)ccc1Br
InChIInChI=1S/C15H11BrN2O/c1-10-8-12(6-7-14(10)16)19-15-13-5-3-2-4-11(13)9-17-18-15/h2-9H,1H3
InChIKeyJYKMTTFMDUQWII-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenoxy)phthalazine?
The IUPAC name of 1-(4-bromo-3-methylphenoxy)phthalazine (CID 83141017) is 1-(4-bromo-3-methylphenoxy)phthalazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenoxy)phthalazine?
The canonical SMILES for 1-(4-bromo-3-methylphenoxy)phthalazine is Cc1cc(Oc2nncc3ccccc23)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenoxy)phthalazine?
The InChIKey is JYKMTTFMDUQWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-8-12(6-7-14(10)16)19-15-13-5-3-2-4-11(13)9-17-18-15/h2-9H,1H3.
What are the key properties of 1-(4-bromo-3-methylphenoxy)phthalazine?
1-(4-bromo-3-methylphenoxy)phthalazine has a molecular weight of 315.17 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenoxy)phthalazine is sourced from PubChem (CID 83141017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).