6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one

C18H10Cl2O2 — CID 18325133

IUPAC6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one
SMILESO=C1OCc2c1cc1ccc(Cl)cc1c2-c1ccc(Cl)cc1
InChIInChI=1S/C18H10Cl2O2/c19-12-4-1-10(2-5-12)17-14-8-13(20)6-3-11(14)7-15-16(17)9-22-18(15)21/h1-8H,9H2
InChIKeyZERGTUQEAFPGRM-UHFFFAOYSA-N
MW329.18 g/mol
LogP5.48
Rot. Bonds1

About 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one

6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one (PubChem CID 18325133) has the molecular formula C18H10Cl2O2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one
PubChem CID18325133
Molecular FormulaC18H10Cl2O2
Molecular Weight329.18 g/mol
Exact Mass328.01
IUPAC Name6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one
SMILESO=C1OCc2c1cc1ccc(Cl)cc1c2-c1ccc(Cl)cc1
InChIInChI=1S/C18H10Cl2O2/c19-12-4-1-10(2-5-12)17-14-8-13(20)6-3-11(14)7-15-16(17)9-22-18(15)21/h1-8H,9H2
InChIKeyZERGTUQEAFPGRM-UHFFFAOYSA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.18
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one (CID 18325133) is 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one is O=C1OCc2c1cc1ccc(Cl)cc1c2-c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is ZERGTUQEAFPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2O2/c19-12-4-1-10(2-5-12)17-14-8-13(20)6-3-11(14)7-15-16(17)9-22-18(15)21/h1-8H,9H2.
What are the key properties of 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one?
6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one has a molecular weight of 329.18 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 18325133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).