6-(ethoxymethoxymethyl)phthalazine

C12H14N2O2 — CID 21138696

IUPAC6-(ethoxymethoxymethyl)phthalazine
SMILESCCOCOCc1ccc2cnncc2c1
InChIInChI=1S/C12H14N2O2/c1-2-15-9-16-8-10-3-4-11-6-13-14-7-12(11)5-10/h3-7H,2,8-9H2,1H3
InChIKeyMIFMDRRBOZXKIU-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.14
Rot. Bonds5

About 6-(ethoxymethoxymethyl)phthalazine

6-(ethoxymethoxymethyl)phthalazine (PubChem CID 21138696) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(ethoxymethoxymethyl)phthalazine.

Molecular Properties

Compound Name6-(ethoxymethoxymethyl)phthalazine
PubChem CID21138696
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-(ethoxymethoxymethyl)phthalazine
SMILESCCOCOCc1ccc2cnncc2c1
InChIInChI=1S/C12H14N2O2/c1-2-15-9-16-8-10-3-4-11-6-13-14-7-12(11)5-10/h3-7H,2,8-9H2,1H3
InChIKeyMIFMDRRBOZXKIU-UHFFFAOYSA-N
XLogP2.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethoxymethyl)phthalazine?
The IUPAC name of 6-(ethoxymethoxymethyl)phthalazine (CID 21138696) is 6-(ethoxymethoxymethyl)phthalazine.
What is the SMILES notation for 6-(ethoxymethoxymethyl)phthalazine?
The canonical SMILES for 6-(ethoxymethoxymethyl)phthalazine is CCOCOCc1ccc2cnncc2c1.
What is the InChIKey of 6-(ethoxymethoxymethyl)phthalazine?
The InChIKey is MIFMDRRBOZXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-15-9-16-8-10-3-4-11-6-13-14-7-12(11)5-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 6-(ethoxymethoxymethyl)phthalazine?
6-(ethoxymethoxymethyl)phthalazine has a molecular weight of 218.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethoxymethyl)phthalazine is sourced from PubChem (CID 21138696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).