4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one

C16H12N2O2 — CID 106522410

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2cccc3c2OCC3)c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-16-12-6-2-1-5-11(12)14(17-18-16)13-7-3-4-10-8-9-20-15(10)13/h1-7H,8-9H2,(H,18,19)
InChIKeyMKAYAFMGHNVWPY-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.53
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one

4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one (PubChem CID 106522410) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one
PubChem CID106522410
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2cccc3c2OCC3)c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-16-12-6-2-1-5-11(12)14(17-18-16)13-7-3-4-10-8-9-20-15(10)13/h1-7H,8-9H2,(H,18,19)
InChIKeyMKAYAFMGHNVWPY-UHFFFAOYSA-N
XLogP2.53
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one
CID 106522385
5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117290116
4-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methyl]-2H-phthalazin-1-one
CID 56833203
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
CID 114746394
4-isoquinolin-4-yl-2H-phthalazin-1-one
CID 106518041
4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136955750
3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 139544145
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
4-(2,5-dibromophenyl)-2H-phthalazin-1-one
CID 28901921
4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine
CID 114747133

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one (CID 106522410) is 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one is O=c1[nH]nc(-c2cccc3c2OCC3)c2ccccc12.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one?
The InChIKey is MKAYAFMGHNVWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16-12-6-2-1-5-11(12)14(17-18-16)13-7-3-4-10-8-9-20-15(10)13/h1-7H,8-9H2,(H,18,19).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one?
4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one has a molecular weight of 264.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 106522410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).