4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one

C16H14N2O2 — CID 106518613

IUPAC4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3ccccc23)c(C)c1
InChIInChI=1S/C16H14N2O2/c1-10-9-11(20-2)7-8-12(10)15-13-5-3-4-6-14(13)16(19)18-17-15/h3-9H,1-2H3,(H,18,19)
InChIKeyWMXOJYMKYWCDOX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one

4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one (PubChem CID 106518613) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
PubChem CID106518613
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3ccccc23)c(C)c1
InChIInChI=1S/C16H14N2O2/c1-10-9-11(20-2)7-8-12(10)15-13-5-3-4-6-14(13)16(19)18-17-15/h3-9H,1-2H3,(H,18,19)
InChIKeyWMXOJYMKYWCDOX-UHFFFAOYSA-N
XLogP2.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-methoxyphenyl)-2H-phthalazin-1-one
CID 60787131
4-(4-methoxy-3,5-dimethylphenyl)-2H-phthalazin-1-one
CID 83046007
4-(5-bromo-2-methoxy-4-methylphenyl)-2H-phthalazin-1-one
CID 65432773
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
4-(3-chloro-4-methylphenyl)-2H-phthalazin-1-one
CID 106520396
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90284863
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,1-benzoxazole-3-carboxamide
CID 118556458
4-(5-methoxythiophen-2-yl)-2H-phthalazin-1-one
CID 11777276

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one (CID 106518613) is 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one is COc1ccc(-c2n[nH]c(=O)c3ccccc23)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one?
The InChIKey is WMXOJYMKYWCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-9-11(20-2)7-8-12(10)15-13-5-3-4-6-14(13)16(19)18-17-15/h3-9H,1-2H3,(H,18,19).
What are the key properties of 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one?
4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)-2H-phthalazin-1-one is sourced from PubChem (CID 106518613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).