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

C16H10N2O2 — CID 59535812

IUPAC4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccccc3c2[nH]1
InChIInChI=1S/C16H10N2O2/c19-16-17-13(10-6-2-1-3-7-10)15-14(18-16)11-8-4-5-9-12(11)20-15/h1-9H,(H,17,18,19)
InChIKeyFHXDIXPHTLBCNS-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.34
Rot. Bonds1

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

4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 59535812) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID59535812
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c2oc3ccccc3c2[nH]1
InChIInChI=1S/C16H10N2O2/c19-16-17-13(10-6-2-1-3-7-10)15-14(18-16)11-8-4-5-9-12(11)20-15/h1-9H,(H,17,18,19)
InChIKeyFHXDIXPHTLBCNS-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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Related Compounds

ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
7-methyl-3-phenyl-1H-[1]benzofuro[3,2-c]pyrazole
CID 11837110
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
CID 144815674
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 59535812) is 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one is O=c1nc(-c2ccccc2)c2oc3ccccc3c2[nH]1.
What is the InChIKey of 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is FHXDIXPHTLBCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-17-13(10-6-2-1-3-7-10)15-14(18-16)11-8-4-5-9-12(11)20-15/h1-9H,(H,17,18,19).
What are the key properties of 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one?
4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-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 4-phenyl-1H-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 59535812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).