(5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one

C25H20O2 — CID 10665700

IUPAC(5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one
SMILESO=C1O/C(=C\c2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1
InChIInChI=1S/C25H20O2/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/h1-15,18H,16-17H2/b24-18-
InChIKeyLUUFEHDSGHDNCI-MOHJPFBDSA-N
MW352.43 g/mol
LogP5.37
Rot. Bonds5

About (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one

(5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one (PubChem CID 10665700) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one.

Molecular Properties

Compound Name(5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one
PubChem CID10665700
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name(5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one
SMILESO=C1O/C(=C\c2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1
InChIInChI=1S/C25H20O2/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/h1-15,18H,16-17H2/b24-18-
InChIKeyLUUFEHDSGHDNCI-MOHJPFBDSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one?
The IUPAC name of (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one (CID 10665700) is (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one.
What is the SMILES notation for (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one?
The canonical SMILES for (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one is O=C1O/C(=C\c2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1.
What is the InChIKey of (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one?
The InChIKey is LUUFEHDSGHDNCI-MOHJPFBDSA-N. The full InChI is InChI=1S/C25H20O2/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/h1-15,18H,16-17H2/b24-18-.
What are the key properties of (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one?
(5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one has a molecular weight of 352.43 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,4-dibenzyl-5-benzylidenefuran-2-one is sourced from PubChem (CID 10665700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).