1-methoxy-4-(4-methoxyphenyl)phthalazine

C16H14N2O2 — CID 2881553

IUPAC1-methoxy-4-(4-methoxyphenyl)phthalazine
SMILESCOc1ccc(-c2nnc(OC)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-19-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(20-2)18-17-15/h3-10H,1-2H3
InChIKeyCGFVAJWBMKHQEV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.31
Rot. Bonds3

About 1-methoxy-4-(4-methoxyphenyl)phthalazine

1-methoxy-4-(4-methoxyphenyl)phthalazine (PubChem CID 2881553) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxyphenyl)phthalazine.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxyphenyl)phthalazine
PubChem CID2881553
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-methoxy-4-(4-methoxyphenyl)phthalazine
SMILESCOc1ccc(-c2nnc(OC)c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-19-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(20-2)18-17-15/h3-10H,1-2H3
InChIKeyCGFVAJWBMKHQEV-UHFFFAOYSA-N
XLogP3.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxyphenyl)phthalazine?
The IUPAC name of 1-methoxy-4-(4-methoxyphenyl)phthalazine (CID 2881553) is 1-methoxy-4-(4-methoxyphenyl)phthalazine.
What is the SMILES notation for 1-methoxy-4-(4-methoxyphenyl)phthalazine?
The canonical SMILES for 1-methoxy-4-(4-methoxyphenyl)phthalazine is COc1ccc(-c2nnc(OC)c3ccccc23)cc1.
What is the InChIKey of 1-methoxy-4-(4-methoxyphenyl)phthalazine?
The InChIKey is CGFVAJWBMKHQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(20-2)18-17-15/h3-10H,1-2H3.
What are the key properties of 1-methoxy-4-(4-methoxyphenyl)phthalazine?
1-methoxy-4-(4-methoxyphenyl)phthalazine has a molecular weight of 266.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxyphenyl)phthalazine is sourced from PubChem (CID 2881553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).