1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine

C22H18N2O2 — CID 6401679

IUPAC1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine
SMILESCOc1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-25-18-13-11-17(12-14-18)21-19-9-5-6-10-20(19)22(24-23-21)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyYQSPRFLNKVCSBN-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.88
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine

1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine (PubChem CID 6401679) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine
PubChem CID6401679
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine
SMILESCOc1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-25-18-13-11-17(12-14-18)21-19-9-5-6-10-20(19)22(24-23-21)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyYQSPRFLNKVCSBN-UHFFFAOYSA-N
XLogP4.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine (CID 6401679) is 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine is COc1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine?
The InChIKey is YQSPRFLNKVCSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-25-18-13-11-17(12-14-18)21-19-9-5-6-10-20(19)22(24-23-21)26-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine?
1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine has a molecular weight of 342.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-phenylmethoxyphthalazine is sourced from PubChem (CID 6401679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).