2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one

C22H18N2O2 — CID 58403093

IUPAC2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
SMILESCc1ccc(Oc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C22H18N2O2/c1-15-7-11-17(12-8-15)26-18-13-9-16(10-14-18)21-19-5-3-4-6-20(19)22(25)24(2)23-21/h3-14H,1-2H3
InChIKeyFQXMFIWITJUMCT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.70
Rot. Bonds3

About 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one

2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one (PubChem CID 58403093) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
PubChem CID58403093
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one
SMILESCc1ccc(Oc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C22H18N2O2/c1-15-7-11-17(12-8-15)26-18-13-9-16(10-14-18)21-19-5-3-4-6-20(19)22(25)24(2)23-21/h3-14H,1-2H3
InChIKeyFQXMFIWITJUMCT-UHFFFAOYSA-N
XLogP4.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 24803638
2-Methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
CID 56665357
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
4-[(4-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937526
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]cyclohexanecarboxamide
CID 1502193
2-Benzyl-4-(3,4-dimethoxyphenyl)phthalazin-1-one
CID 10904782
N-(4-methoxybenzyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3236385
2-Benzyl-4-(3,4-diethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 11729202
2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-phthalazin-2-yl)-butyramide
CID 18173159
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
The IUPAC name of 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one (CID 58403093) is 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
The canonical SMILES for 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one is Cc1ccc(Oc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1.
What is the InChIKey of 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
The InChIKey is FQXMFIWITJUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-7-11-17(12-8-15)26-18-13-9-16(10-14-18)21-19-5-3-4-6-20(19)22(25)24(2)23-21/h3-14H,1-2H3.
What are the key properties of 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one?
2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one has a molecular weight of 342.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylphenoxy)phenyl]phthalazin-1-one is sourced from PubChem (CID 58403093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).