1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine

C20H20N2O2 — CID 2945112

IUPAC1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine
SMILESCc1ccc(-c2nnc(OCC3CCCO3)c3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-14-8-10-15(11-9-14)19-17-6-2-3-7-18(17)20(22-21-19)24-13-16-5-4-12-23-16/h2-3,6-11,16H,4-5,12-13H2,1H3
InChIKeyVFCAAOBNOHGTKZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine

1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine (PubChem CID 2945112) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine
PubChem CID2945112
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine
SMILESCc1ccc(-c2nnc(OCC3CCCO3)c3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-14-8-10-15(11-9-14)19-17-6-2-3-7-18(17)20(22-21-19)24-13-16-5-4-12-23-16/h2-3,6-11,16H,4-5,12-13H2,1H3
InChIKeyVFCAAOBNOHGTKZ-UHFFFAOYSA-N
XLogP4.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6401676
1-(4-Methylphenoxy)-4-phenylphthalazine
CID 6413250
1-Methoxy-4-(4-methylphenyl)phthalazine
CID 2881546
1-Methoxy-4-(4-methoxyphenyl)phthalazine
CID 2881553
1-(4-Methoxyphenoxy)-4-(4-methylphenyl)phthalazine
CID 2939087
1-(4-Methoxyphenoxy)-4-methylphthalazine
CID 2939344
N,N-diethyl-2-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyethanamine
CID 5348049
1-Phenyl-4-(tetrahydro-2-furanylmethoxy)phthalazine
CID 2946258
1-Butoxy-4-(4-ethoxyphenyl)phthalazine
CID 6407038
1-Methyl-4-phenoxyphthalazine
CID 657694
1-[2-(Morpholin-4-yl)ethoxy]-4-phenylphthalazine
CID 662348
1-(4-Methylphenyl)-4-[2-(morpholin-4-yl)ethoxy]phthalazine
CID 663149

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine?
The IUPAC name of 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine (CID 2945112) is 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine?
The canonical SMILES for 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine is Cc1ccc(-c2nnc(OCC3CCCO3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine?
The InChIKey is VFCAAOBNOHGTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-8-10-15(11-9-14)19-17-6-2-3-7-18(17)20(22-21-19)24-13-16-5-4-12-23-16/h2-3,6-11,16H,4-5,12-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine?
1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine has a molecular weight of 320.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine is sourced from PubChem (CID 2945112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).