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

C16H14N2O — CID 2881546

IUPAC1-methoxy-4-(4-methylphenyl)phthalazine
SMILESCOc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(19-2)18-17-15/h3-10H,1-2H3
InChIKeyFHWTUFMSKRSCOM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.61
Rot. Bonds2

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

1-methoxy-4-(4-methylphenyl)phthalazine (PubChem CID 2881546) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methoxy-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-methoxy-4-(4-methylphenyl)phthalazine
PubChem CID2881546
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-methoxy-4-(4-methylphenyl)phthalazine
SMILESCOc1nnc(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(19-2)18-17-15/h3-10H,1-2H3
InChIKeyFHWTUFMSKRSCOM-UHFFFAOYSA-N
XLogP3.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methylphenyl)phthalazine?
The IUPAC name of 1-methoxy-4-(4-methylphenyl)phthalazine (CID 2881546) is 1-methoxy-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-methoxy-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-methoxy-4-(4-methylphenyl)phthalazine is COc1nnc(-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 1-methoxy-4-(4-methylphenyl)phthalazine?
The InChIKey is FHWTUFMSKRSCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)16(19-2)18-17-15/h3-10H,1-2H3.
What are the key properties of 1-methoxy-4-(4-methylphenyl)phthalazine?
1-methoxy-4-(4-methylphenyl)phthalazine has a molecular weight of 250.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methylphenyl)phthalazine is sourced from PubChem (CID 2881546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).