4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine

C16H9BrN2O2 — CID 2487999

IUPAC4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine
SMILESBrc1ccc(Oc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C16H9BrN2O2/c17-10-5-7-11(8-6-10)20-16-15-14(18-9-19-16)12-3-1-2-4-13(12)21-15/h1-9H
InChIKeyWJUYSNBGGZVPKH-UHFFFAOYSA-N
MW341.16 g/mol
LogP4.93
Rot. Bonds2

About 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine

4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 2487999) has the molecular formula C16H9BrN2O2 and a molecular weight of 341.16 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID2487999
Molecular FormulaC16H9BrN2O2
Molecular Weight341.16 g/mol
Exact Mass339.98
IUPAC Name4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine
SMILESBrc1ccc(Oc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C16H9BrN2O2/c17-10-5-7-11(8-6-10)20-16-15-14(18-9-19-16)12-3-1-2-4-13(12)21-15/h1-9H
InChIKeyWJUYSNBGGZVPKH-UHFFFAOYSA-N
XLogP4.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
CID 9441589
4-(3-fluorophenoxy)-[1]benzofuro[3,2-d]pyrimidine
CID 22586504
4-[2-methyl-4-(4-methylphenyl)phenoxy]-[1]benzofuro[3,2-d]pyrimidine
CID 2455354
4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine
CID 133299457
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
4-(4-fluorophenoxy)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 22586552
5-chloro-4-dibenzofuran-2-yloxypyrimidine
CID 166218206
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
4-benzylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 3131853
2-[(E)-([1]benzofuro[3,2-d]pyrimidin-4-ylhydrazinylidene)methyl]-4,6-dibromophenol
CID 135684918

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine (CID 2487999) is 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine is Brc1ccc(Oc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WJUYSNBGGZVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O2/c17-10-5-7-11(8-6-10)20-16-15-14(18-9-19-16)12-3-1-2-4-13(12)21-15/h1-9H.
What are the key properties of 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine?
4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 341.16 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 2487999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).