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

C17H11ClN2O3 — CID 135867918

IUPAC2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCOc1ccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c2c1
InChIInChI=1S/C17H11ClN2O3/c1-22-9-6-7-13-11(8-9)14-15(23-13)17(21)20-16(19-14)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,20,21)
InChIKeyFVBZRBVWVRMHGP-UHFFFAOYSA-N
MW326.74 g/mol
LogP4.00
Rot. Bonds2

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

2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867918) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867918
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCOc1ccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c2c1
InChIInChI=1S/C17H11ClN2O3/c1-22-9-6-7-13-11(8-9)14-15(23-13)17(21)20-16(19-14)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,20,21)
InChIKeyFVBZRBVWVRMHGP-UHFFFAOYSA-N
XLogP4.00
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Bromo-2-(2-Chlorophenyl)[1]benzofuro[3,2-D]pyrimidin-4(3h)-One
CID 135566645
8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135404025
3-(3-chlorobenzyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 4048782
2-benzyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135456879
8-bromo-2-(2-chloro-4-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867903
8-bromo-2-(2-chloro-5-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867906
8-bromo-2-(2-chloro-6-fluorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867912
8-chloro-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135867923
2-(2-chlorophenyl)-8-(trifluoromethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867953
2-(2-chloro-6-fluorophenyl)-8-cyclopropyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135867956
2-(2-chlorophenyl)-9-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867959
2-(2-chlorophenyl)-8-hydroxy[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CID 135867966

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867918) is 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is COc1ccc2oc3c(=O)[nH]c(-c4ccccc4Cl)nc3c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is FVBZRBVWVRMHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c1-22-9-6-7-13-11(8-9)14-15(23-13)17(21)20-16(19-14)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,20,21).
What are the key properties of 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 326.74 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-methoxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).