5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one

C25H24O — CID 141453211

IUPAC5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
SMILESCC(=O)CCCc1ccccc1-c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C25H24O/c1-20(26)10-9-15-22-13-5-7-16-24(22)25-17-8-6-14-23(25)19-18-21-11-3-2-4-12-21/h2-8,11-14,16-19H,9-10,15H2,1H3/b19-18+
InChIKeyMVJGKSOSLUZNHH-VHEBQXMUSA-N
MW340.47 g/mol
LogP6.44
Rot. Bonds7

About 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one

5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one (PubChem CID 141453211) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one.

Molecular Properties

Compound Name5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
PubChem CID141453211
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Name5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
SMILESCC(=O)CCCc1ccccc1-c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C25H24O/c1-20(26)10-9-15-22-13-5-7-16-24(22)25-17-8-6-14-23(25)19-18-21-11-3-2-4-12-21/h2-8,11-14,16-19H,9-10,15H2,1H3/b19-18+
InChIKeyMVJGKSOSLUZNHH-VHEBQXMUSA-N
XLogP6.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[2-[(E)-2-phenylethenyl]phenyl]benzene
CID 141453206
1-butyl-2-[2-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]benzene
CID 141453194
2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene
CID 174798899
1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one
CID 102380406
7-phenylhept-6-en-2-one
CID 582607
4-[3-(3-oxobutyl)azulen-1-yl]butan-2-one
CID 23624505
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one
CID 10561697
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
acetic acid;stilbene
CID 172803728
5-phenylpentan-2-one
CID 16701
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one?
The IUPAC name of 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one (CID 141453211) is 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one.
What is the SMILES notation for 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one?
The canonical SMILES for 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one is CC(=O)CCCc1ccccc1-c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one?
The InChIKey is MVJGKSOSLUZNHH-VHEBQXMUSA-N. The full InChI is InChI=1S/C25H24O/c1-20(26)10-9-15-22-13-5-7-16-24(22)25-17-8-6-14-23(25)19-18-21-11-3-2-4-12-21/h2-8,11-14,16-19H,9-10,15H2,1H3/b19-18+.
What are the key properties of 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one?
5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one has a molecular weight of 340.47 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one is sourced from PubChem (CID 141453211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).