1-chloro-4-(methoxymethyl)phthalazine

C10H9ClN2O — CID 20794422

IUPAC1-chloro-4-(methoxymethyl)phthalazine
SMILESCOCc1nnc(Cl)c2ccccc12
InChIInChI=1S/C10H9ClN2O/c1-14-6-9-7-4-2-3-5-8(7)10(11)13-12-9/h2-5H,6H2,1H3
InChIKeyXLMCIMOSEMERIY-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.43
Rot. Bonds2

About 1-chloro-4-(methoxymethyl)phthalazine

1-chloro-4-(methoxymethyl)phthalazine (PubChem CID 20794422) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-chloro-4-(methoxymethyl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(methoxymethyl)phthalazine
PubChem CID20794422
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-chloro-4-(methoxymethyl)phthalazine
SMILESCOCc1nnc(Cl)c2ccccc12
InChIInChI=1S/C10H9ClN2O/c1-14-6-9-7-4-2-3-5-8(7)10(11)13-12-9/h2-5H,6H2,1H3
InChIKeyXLMCIMOSEMERIY-UHFFFAOYSA-N
XLogP2.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(methoxymethyl)phthalazine?
The IUPAC name of 1-chloro-4-(methoxymethyl)phthalazine (CID 20794422) is 1-chloro-4-(methoxymethyl)phthalazine.
What is the SMILES notation for 1-chloro-4-(methoxymethyl)phthalazine?
The canonical SMILES for 1-chloro-4-(methoxymethyl)phthalazine is COCc1nnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(methoxymethyl)phthalazine?
The InChIKey is XLMCIMOSEMERIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-6-9-7-4-2-3-5-8(7)10(11)13-12-9/h2-5H,6H2,1H3.
What are the key properties of 1-chloro-4-(methoxymethyl)phthalazine?
1-chloro-4-(methoxymethyl)phthalazine has a molecular weight of 208.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(methoxymethyl)phthalazine is sourced from PubChem (CID 20794422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).