1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine

C23H20N2O2 — CID 6407636

IUPAC1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCOc1cc(C)ccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-15-8-11-17(12-9-15)22-18-6-4-5-7-19(18)23(25-24-22)27-20-13-10-16(2)14-21(20)26-3/h4-14H,1-3H3
InChIKeyKWQLIHGVKUPRRA-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.71
Rot. Bonds4

About 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine

1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine (PubChem CID 6407636) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
PubChem CID6407636
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
SMILESCOc1cc(C)ccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-15-8-11-17(12-9-15)22-18-6-4-5-7-19(18)23(25-24-22)27-20-13-10-16(2)14-21(20)26-3/h4-14H,1-3H3
InChIKeyKWQLIHGVKUPRRA-UHFFFAOYSA-N
XLogP5.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenyl)-4-(oxolan-2-ylmethoxy)phthalazine
CID 2945112
1-(4-Methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6401676
1-(4-Methylphenoxy)-4-phenylphthalazine
CID 6413250
3,4-Bis(4-methoxyphenyl)-6-(phenoxy)pyridazine
CID 10178057
3,4-Bis(4-methoxyphenyl)-6-(3-cyanophenoxy)pyridazine
CID 10294943
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
1-Chloro-4-(3,4-dimethoxybenzyl)phthalazine
CID 6401668
N,N-diethyl-2-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyethanamine
CID 5348049
1-(Oxolan-2-ylmethoxy)-4-phenylphthalazine
CID 2946258

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The IUPAC name of 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine (CID 6407636) is 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine is COc1cc(C)ccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
The InChIKey is KWQLIHGVKUPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-8-11-17(12-9-15)22-18-6-4-5-7-19(18)23(25-24-22)27-20-13-10-16(2)14-21(20)26-3/h4-14H,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine?
1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine has a molecular weight of 356.43 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine is sourced from PubChem (CID 6407636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).