1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one

C19H20O — CID 102380406

IUPAC1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one
SMILESCCC(=O)CCc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C19H20O/c1-2-19(20)15-14-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3/b13-12+
InChIKeyMHLKTNADBILSIZ-OUKQBFOZSA-N
MW264.37 g/mol
LogP4.77
Rot. Bonds6

About 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one

1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one (PubChem CID 102380406) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one.

Molecular Properties

Compound Name1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one
PubChem CID102380406
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one
SMILESCCC(=O)CCc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C19H20O/c1-2-19(20)15-14-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3/b13-12+
InChIKeyMHLKTNADBILSIZ-OUKQBFOZSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.77
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-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
(E)-3-[2-(3-ethoxy-3-oxopropyl)phenyl]prop-2-enoic acid
CID 166641850
5-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]pentan-2-one
CID 141453211
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 158078399
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
methanamine;1-phenylpentan-3-one
CID 167492251
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
1-[2-(2-phenylethenyl)phenyl]butane-2,2-diamine
CID 174680180
3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid
CID 169464036
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one?
The IUPAC name of 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one (CID 102380406) is 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one.
What is the SMILES notation for 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one?
The canonical SMILES for 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one is CCC(=O)CCc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one?
The InChIKey is MHLKTNADBILSIZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20O/c1-2-19(20)15-14-18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3/b13-12+.
What are the key properties of 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one?
1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one has a molecular weight of 264.37 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-phenylethenyl]phenyl]pentan-3-one is sourced from PubChem (CID 102380406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).