(E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one

C26H24O2 — CID 22026813

IUPAC(E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one
SMILESC=C(C)c1ccc(OCCc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H24O2/c1-20(2)23-13-15-25(16-14-23)28-19-18-22-10-8-21(9-11-22)12-17-26(27)24-6-4-3-5-7-24/h3-17H,1,18-19H2,2H3/b17-12+
InChIKeyUNTSWASHUVYBPA-SFQUDFHCSA-N
MW368.48 g/mol
LogP6.24
Rot. Bonds8

About (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one

(E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one (PubChem CID 22026813) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one
PubChem CID22026813
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name(E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one
SMILESC=C(C)c1ccc(OCCc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H24O2/c1-20(2)23-13-15-25(16-14-23)28-19-18-22-10-8-21(9-11-22)12-17-26(27)24-6-4-3-5-7-24/h3-17H,1,18-19H2,2H3/b17-12+
InChIKeyUNTSWASHUVYBPA-SFQUDFHCSA-N
XLogP6.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-fluorophenyl)-3-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]prop-2-en-1-one
CID 22026869
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
(E)-3-[4-[8-(4-ethenylphenyl)octoxy]phenyl]-1-phenylprop-2-en-1-one
CID 22026801
3-[4-[2-(3,5-diaminophenoxy)ethyl]phenyl]-1-phenylprop-2-en-1-one
CID 76760471
(E)-3-[4-[2-(4-ethenylphenoxy)ethoxy]phenyl]-1-phenylprop-2-en-1-one
CID 22026760
(E)-1-(4-fluorophenyl)-3-[4-[2-[4-[4-(4-prop-1-en-2-ylphenoxy)phenyl]phenoxy]ethoxy]phenyl]prop-2-en-1-one
CID 23534683
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
3-[4-(2-phenylethoxy)phenyl]prop-2-enoic acid
CID 4715298
4-[4-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]butanoic acid
CID 67802477
4-[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenyl]butanoic acid
CID 67802475
2-methylidene-4-[4-(3-phenylprop-2-enoyl)phenoxy]butanoic acid
CID 54553910
1-butoxy-4-ethenylbenzene;4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoic acid
CID 174464143

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one (CID 22026813) is (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one is C=C(C)c1ccc(OCCc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one?
The InChIKey is UNTSWASHUVYBPA-SFQUDFHCSA-N. The full InChI is InChI=1S/C26H24O2/c1-20(2)23-13-15-25(16-14-23)28-19-18-22-10-8-21(9-11-22)12-17-26(27)24-6-4-3-5-7-24/h3-17H,1,18-19H2,2H3/b17-12+.
What are the key properties of (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one?
(E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one has a molecular weight of 368.48 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 22026813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).