2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C16H10N2O2 — CID 135461313

IUPAC2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1oc1ccccc12
InChIInChI=1S/C16H10N2O2/c19-16-14-13(11-8-4-5-9-12(11)20-14)17-15(18-16)10-6-2-1-3-7-10/h1-9H,(H,17,18,19)
InChIKeyHXZTUTPAJLJWDM-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.34
Rot. Bonds1

About 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135461313) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135461313
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1oc1ccccc12
InChIInChI=1S/C16H10N2O2/c19-16-14-13(11-8-4-5-9-12(11)20-14)17-15(18-16)10-6-2-1-3-7-10/h1-9H,(H,17,18,19)
InChIKeyHXZTUTPAJLJWDM-UHFFFAOYSA-N
XLogP3.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135461313) is 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1oc1ccccc12.
What is the InChIKey of 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is HXZTUTPAJLJWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-14-13(11-8-4-5-9-12(11)20-14)17-15(18-16)10-6-2-1-3-7-10/h1-9H,(H,17,18,19).
What are the key properties of 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 262.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135461313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).