8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C16H9BrN2O3 — CID 135867999

IUPAC8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2O)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C16H9BrN2O3/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)19-15(18-13)9-3-1-2-4-11(9)20/h1-7,20H,(H,18,19,21)
InChIKeyRGVRRYDJGANOLI-UHFFFAOYSA-N
MW357.16 g/mol
LogP3.80
Rot. Bonds1

About 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867999) has the molecular formula C16H9BrN2O3 and a molecular weight of 357.16 g/mol. Its IUPAC name is 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867999
Molecular FormulaC16H9BrN2O3
Molecular Weight357.16 g/mol
Exact Mass355.98
IUPAC Name8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2O)nc2c1oc1ccc(Br)cc12
InChIInChI=1S/C16H9BrN2O3/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)19-15(18-13)9-3-1-2-4-11(9)20/h1-7,20H,(H,18,19,21)
InChIKeyRGVRRYDJGANOLI-UHFFFAOYSA-N
XLogP3.80
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135566645
8-bromo-2-(2-iodophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867908
8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831080
8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867997
2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867966
8-bromo-2-(2-chloro-3-methoxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867976
2-(4-amino-2-methylphenyl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135868000
8-bromo-2-(4-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867950
8-bromo-2-methyl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135498125
8-bromo-2-propan-2-yl-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831013
N-[4-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-chlorophenyl]-2,3-dihydrothiadiazole-4-carboxamide
CID 143831024
8-bromo-2-[2-chloro-5-(2H-pyridin-1-yl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 154504995

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867999) is 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2O)nc2c1oc1ccc(Br)cc12.
What is the InChIKey of 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is RGVRRYDJGANOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O3/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)19-15(18-13)9-3-1-2-4-11(9)20/h1-7,20H,(H,18,19,21).
What are the key properties of 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 357.16 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).