3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one

C20H13ClO3 — CID 102060867

IUPAC3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one
SMILESO=C1OC(Oc2cccc(Cl)c2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H13ClO3/c21-15-9-6-10-16(13-15)23-20(14-7-2-1-3-8-14)18-12-5-4-11-17(18)19(22)24-20/h1-13H
InChIKeyJRCCTVCVTWFGRG-UHFFFAOYSA-N
MW336.77 g/mol
LogP4.79
Rot. Bonds3

About 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one

3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one (PubChem CID 102060867) has the molecular formula C20H13ClO3 and a molecular weight of 336.77 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one
PubChem CID102060867
Molecular FormulaC20H13ClO3
Molecular Weight336.77 g/mol
Exact Mass336.06
IUPAC Name3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one
SMILESO=C1OC(Oc2cccc(Cl)c2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H13ClO3/c21-15-9-6-10-16(13-15)23-20(14-7-2-1-3-8-14)18-12-5-4-11-17(18)19(22)24-20/h1-13H
InChIKeyJRCCTVCVTWFGRG-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one?
The IUPAC name of 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one (CID 102060867) is 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one is O=C1OC(Oc2cccc(Cl)c2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one?
The InChIKey is JRCCTVCVTWFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO3/c21-15-9-6-10-16(13-15)23-20(14-7-2-1-3-8-14)18-12-5-4-11-17(18)19(22)24-20/h1-13H.
What are the key properties of 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one?
3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one has a molecular weight of 336.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 102060867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).