2,3,4-tribenzyl-2H-furan-5-one

C25H22O2 — CID 11394099

IUPAC2,3,4-tribenzyl-2H-furan-5-one
SMILESO=C1OC(Cc2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1
InChIInChI=1S/C25H22O2/c26-25-23(17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(27-25)18-21-14-8-3-9-15-21/h1-15,24H,16-18H2
InChIKeyIQRURBLUDNZHDE-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.94
Rot. Bonds6

About 2,3,4-tribenzyl-2H-furan-5-one

2,3,4-tribenzyl-2H-furan-5-one (PubChem CID 11394099) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,3,4-tribenzyl-2H-furan-5-one.

Molecular Properties

Compound Name2,3,4-tribenzyl-2H-furan-5-one
PubChem CID11394099
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name2,3,4-tribenzyl-2H-furan-5-one
SMILESO=C1OC(Cc2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1
InChIInChI=1S/C25H22O2/c26-25-23(17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(27-25)18-21-14-8-3-9-15-21/h1-15,24H,16-18H2
InChIKeyIQRURBLUDNZHDE-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tribenzyl-2H-furan-5-one?
The IUPAC name of 2,3,4-tribenzyl-2H-furan-5-one (CID 11394099) is 2,3,4-tribenzyl-2H-furan-5-one.
What is the SMILES notation for 2,3,4-tribenzyl-2H-furan-5-one?
The canonical SMILES for 2,3,4-tribenzyl-2H-furan-5-one is O=C1OC(Cc2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1.
What is the InChIKey of 2,3,4-tribenzyl-2H-furan-5-one?
The InChIKey is IQRURBLUDNZHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c26-25-23(17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(27-25)18-21-14-8-3-9-15-21/h1-15,24H,16-18H2.
What are the key properties of 2,3,4-tribenzyl-2H-furan-5-one?
2,3,4-tribenzyl-2H-furan-5-one has a molecular weight of 354.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribenzyl-2H-furan-5-one is sourced from PubChem (CID 11394099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).