4-(4-hydroxyphenyl)-2-methylphthalazin-1-one

C15H12N2O2 — CID 5081751

IUPAC4-(4-hydroxyphenyl)-2-methylphthalazin-1-one
SMILESCn1nc(-c2ccc(O)cc2)c2ccccc2c1=O
InChIInChI=1S/C15H12N2O2/c1-17-15(19)13-5-3-2-4-12(13)14(16-17)10-6-8-11(18)9-7-10/h2-9,18H,1H3
InChIKeyAXZOCCIGISTCRN-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.31
Rot. Bonds1

About 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one

4-(4-hydroxyphenyl)-2-methylphthalazin-1-one (PubChem CID 5081751) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2-methylphthalazin-1-one
PubChem CID5081751
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(4-hydroxyphenyl)-2-methylphthalazin-1-one
SMILESCn1nc(-c2ccc(O)cc2)c2ccccc2c1=O
InChIInChI=1S/C15H12N2O2/c1-17-15(19)13-5-3-2-4-12(13)14(16-17)10-6-8-11(18)9-7-10/h2-9,18H,1H3
InChIKeyAXZOCCIGISTCRN-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one?
The IUPAC name of 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one (CID 5081751) is 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one is Cn1nc(-c2ccc(O)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one?
The InChIKey is AXZOCCIGISTCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17-15(19)13-5-3-2-4-12(13)14(16-17)10-6-8-11(18)9-7-10/h2-9,18H,1H3.
What are the key properties of 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one?
4-(4-hydroxyphenyl)-2-methylphthalazin-1-one has a molecular weight of 252.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2-methylphthalazin-1-one is sourced from PubChem (CID 5081751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).