(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one

C18H16O2 — CID 19608879

IUPAC(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-2-14-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-3-5-7-15/h2-13H,1,14H2/b13-8+
InChIKeyJHNKJAZRIYZLGV-MDWZMJQESA-N
MW264.32 g/mol
LogP4.15
Rot. Bonds6

About (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one

(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (PubChem CID 19608879) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
PubChem CID19608879
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-2-14-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-3-5-7-15/h2-13H,1,14H2/b13-8+
InChIKeyJHNKJAZRIYZLGV-MDWZMJQESA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-pentoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 6056566
2-methylidene-4-[4-(3-phenylprop-2-enoyl)phenoxy]butanoic acid
CID 54553910
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-[4-[2-(4-ethenylphenoxy)ethoxy]phenyl]-1-phenylprop-2-en-1-one
CID 22026760
2-[4-[(Z)-3-phenylprop-2-enoyl]phenoxy]acetonitrile
CID 92909370
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-1-[4-[(2S)-2-hydroxy-3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-3-phenylprop-2-en-1-one
CID 124767910
(E)-1-[4-[(2R)-2-hydroxy-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-3-phenylprop-2-en-1-one
CID 95241953
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849823
3-(4-tert-butyl-3,5-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54487750
benzene;4-prop-2-enoxybenzoic acid
CID 174857047

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (CID 19608879) is (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is C=CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The InChIKey is JHNKJAZRIYZLGV-MDWZMJQESA-N. The full InChI is InChI=1S/C18H16O2/c1-2-14-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-3-5-7-15/h2-13H,1,14H2/b13-8+.
What are the key properties of (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 19608879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).