4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one

C15H13FN2O2 — CID 70806880

IUPAC4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccc(F)c(O)c2)c2c1=CCCC=2
InChIInChI=1S/C15H13FN2O2/c16-12-6-5-9(8-14(12)19)7-13-10-3-1-2-4-11(10)15(20)18-17-13/h3-6,8,19H,1-2,7H2,(H,18,20)
InChIKeyAVXLNTLVBJFYBB-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.56
Rot. Bonds2

About 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one

4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one (PubChem CID 70806880) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one
PubChem CID70806880
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccc(F)c(O)c2)c2c1=CCCC=2
InChIInChI=1S/C15H13FN2O2/c16-12-6-5-9(8-14(12)19)7-13-10-3-1-2-4-11(10)15(20)18-17-13/h3-6,8,19H,1-2,7H2,(H,18,20)
InChIKeyAVXLNTLVBJFYBB-UHFFFAOYSA-N
XLogP0.56
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one?
The IUPAC name of 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one (CID 70806880) is 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one?
The canonical SMILES for 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one is O=c1[nH]nc(Cc2ccc(F)c(O)c2)c2c1=CCCC=2.
What is the InChIKey of 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one?
The InChIKey is AVXLNTLVBJFYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-12-6-5-9(8-14(12)19)7-13-10-3-1-2-4-11(10)15(20)18-17-13/h3-6,8,19H,1-2,7H2,(H,18,20).
What are the key properties of 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one?
4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one has a molecular weight of 272.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-hydroxyphenyl)methyl]-6,7-dihydro-2H-phthalazin-1-one is sourced from PubChem (CID 70806880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).