(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one

C24H28O4 — CID 67778530

IUPAC(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESC=CCc1c(/C=C/C(=O)c2ccc(OCC)cc2)cc(OCC)cc1OCC
InChIInChI=1S/C24H28O4/c1-5-9-22-19(16-21(27-7-3)17-24(22)28-8-4)12-15-23(25)18-10-13-20(14-11-18)26-6-2/h5,10-17H,1,6-9H2,2-4H3/b15-12+
InChIKeyHRFLXLZESCRCHP-NTCAYCPXSA-N
MW380.48 g/mol
LogP5.51
Rot. Bonds11

About (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one

(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one (PubChem CID 67778530) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
PubChem CID67778530
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESC=CCc1c(/C=C/C(=O)c2ccc(OCC)cc2)cc(OCC)cc1OCC
InChIInChI=1S/C24H28O4/c1-5-9-22-19(16-21(27-7-3)17-24(22)28-8-4)12-15-23(25)18-10-13-20(14-11-18)26-6-2/h5,10-17H,1,6-9H2,2-4H3/b15-12+
InChIKeyHRFLXLZESCRCHP-NTCAYCPXSA-N
XLogP5.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-(3,5-diethoxy-2-methylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778408
3-(2-tert-butyl-3,5-diethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54022773
3-(3,5-diethoxy-4-prop-2-enylphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 54496377
3-(3,5-diethoxy-4-prop-2-enylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 54086235
(E)-3-[3,5-di(propan-2-yloxy)-2-prop-2-enylphenyl]-1-(4-propoxyphenyl)prop-2-en-1-one
CID 67778399
3-(2-tert-butyl-3,5-diethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 54336354
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54513163
(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 18178132
3-(2-tert-butyl-3,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54217160
[4-[(E)-3-(2,4-diethoxy-5-prop-2-enylphenyl)prop-2-enoyl]phenoxy]methyl 2,2-dimethylpropanoate
CID 18178766
(E)-3-(3,4-diethoxy-5-prop-2-enylphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 67778744
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one (CID 67778530) is (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one is C=CCc1c(/C=C/C(=O)c2ccc(OCC)cc2)cc(OCC)cc1OCC.
What is the InChIKey of (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is HRFLXLZESCRCHP-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H28O4/c1-5-9-22-19(16-21(27-7-3)17-24(22)28-8-4)12-15-23(25)18-10-13-20(14-11-18)26-6-2/h5,10-17H,1,6-9H2,2-4H3/b15-12+.
What are the key properties of (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
(E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 380.48 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-diethoxy-2-prop-2-enylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 67778530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).