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

C16H8Cl2N2O2 — CID 135867923

IUPAC8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2c1oc1ccc(Cl)cc12
InChIInChI=1S/C16H8Cl2N2O2/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)20-15(19-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,20,21)
InChIKeyPHERSJGVHFLHAP-UHFFFAOYSA-N
MW331.16 g/mol
LogP4.64
Rot. Bonds1

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

8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867923) has the molecular formula C16H8Cl2N2O2 and a molecular weight of 331.16 g/mol. Its IUPAC name is 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867923
Molecular FormulaC16H8Cl2N2O2
Molecular Weight331.16 g/mol
Exact Mass330.00
IUPAC Name8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2c1oc1ccc(Cl)cc12
InChIInChI=1S/C16H8Cl2N2O2/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)20-15(19-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,20,21)
InChIKeyPHERSJGVHFLHAP-UHFFFAOYSA-N
XLogP4.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867923) is 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2Cl)nc2c1oc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is PHERSJGVHFLHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O2/c17-8-5-6-12-10(7-8)13-14(22-12)16(21)20-15(19-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,20,21).
What are the key properties of 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 331.16 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).