(4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one

C19H16O — CID 139180450

IUPAC(4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one
SMILESO=C1C=C(Cc2ccccc2)/C(=C/c2ccccc2)C1
InChIInChI=1S/C19H16O/c20-19-13-17(11-15-7-3-1-4-8-15)18(14-19)12-16-9-5-2-6-10-16/h1-11,14H,12-13H2/b17-11+
InChIKeyLRHUDYYSEXXGNW-GZTJUZNOSA-N
MW260.34 g/mol
LogP4.21
Rot. Bonds3

About (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one

(4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one (PubChem CID 139180450) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name(4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one
PubChem CID139180450
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name(4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one
SMILESO=C1C=C(Cc2ccccc2)/C(=C/c2ccccc2)C1
InChIInChI=1S/C19H16O/c20-19-13-17(11-15-7-3-1-4-8-15)18(14-19)12-16-9-5-2-6-10-16/h1-11,14H,12-13H2/b17-11+
InChIKeyLRHUDYYSEXXGNW-GZTJUZNOSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one?
The IUPAC name of (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one (CID 139180450) is (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one.
What is the SMILES notation for (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one?
The canonical SMILES for (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one is O=C1C=C(Cc2ccccc2)/C(=C/c2ccccc2)C1.
What is the InChIKey of (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one?
The InChIKey is LRHUDYYSEXXGNW-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H16O/c20-19-13-17(11-15-7-3-1-4-8-15)18(14-19)12-16-9-5-2-6-10-16/h1-11,14H,12-13H2/b17-11+.
What are the key properties of (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one?
(4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one has a molecular weight of 260.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-benzyl-4-benzylidenecyclopent-2-en-1-one is sourced from PubChem (CID 139180450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).